4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine

C23H25FN8 — CID 160561686

IUPAC4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine
SMILESCNc1cc(F)cc2c1Cc1nc(Nc3cnc(C)nc3)nc(N3C[C@H]4CC3C[C@H]4N)c1-2
InChIInChI=1S/C23H25FN8/c1-11-27-8-14(9-28-11)29-23-30-20-7-16-17(4-13(24)5-19(16)26-2)21(20)22(31-23)32-10-12-3-15(32)6-18(12)25/h4-5,8-9,12,15,18,26H,3,6-7,10,25H2,1-2H3,(H,29,30,31)/t12-,15?,18-/m1/s1
InChIKeyVWZZRSFWOVMFNX-DACQPMPOSA-N
MW432.51 g/mol
LogP3.00
Rot. Bonds4

About 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine

4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine (PubChem CID 160561686) has the molecular formula C23H25FN8 and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine
PubChem CID160561686
Molecular FormulaC23H25FN8
Molecular Weight432.51 g/mol
Exact Mass432.22
IUPAC Name4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine
SMILESCNc1cc(F)cc2c1Cc1nc(Nc3cnc(C)nc3)nc(N3C[C@H]4CC3C[C@H]4N)c1-2
InChIInChI=1S/C23H25FN8/c1-11-27-8-14(9-28-11)29-23-30-20-7-16-17(4-13(24)5-19(16)26-2)21(20)22(31-23)32-10-12-3-15(32)6-18(12)25/h4-5,8-9,12,15,18,26H,3,6-7,10,25H2,1-2H3,(H,29,30,31)/t12-,15?,18-/m1/s1
InChIKeyVWZZRSFWOVMFNX-DACQPMPOSA-N
XLogP3.00
TPSA104.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S,5S)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(2-cyclopropylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159700850
4-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159051487
4-[(5R)-5-[[[4-[(5R)-5-amino-2-azabicyclo[2.2.2]octan-2-yl]-6-fluoro-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl]amino]methylamino]-2-azabicyclo[2.2.2]octan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-pyrimido[4,5-b]indole-2,8-diamine
CID 144589847
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-pyridin-3-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine
CID 159611744
[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-indeno[2,1-d]pyrimidin-4-yl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 160786683
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-2-(1H-imidazo[4,5-b]pyridin-6-yloxy)-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161128310
4-[(4R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 130338790
4-(6-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 161381439
4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-2-N-[(E)-1-iminobut-2-en-2-yl]-8-N-methyl-9H-pyrimido[4,5-b]indole-2,8-diamine
CID 90066581
2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158376549
4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine
CID 158119386
4-[(1R,4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(pyridin-3-ylmethylsulfanyl)-9H-pyrimido[4,5-b]indol-8-amine
CID 90066435

Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine?
The IUPAC name of 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine (CID 160561686) is 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine?
The canonical SMILES for 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine is CNc1cc(F)cc2c1Cc1nc(Nc3cnc(C)nc3)nc(N3C[C@H]4CC3C[C@H]4N)c1-2.
What is the InChIKey of 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine?
The InChIKey is VWZZRSFWOVMFNX-DACQPMPOSA-N. The full InChI is InChI=1S/C23H25FN8/c1-11-27-8-14(9-28-11)29-23-30-20-7-16-17(4-13(24)5-19(16)26-2)21(20)22(31-23)32-10-12-3-15(32)6-18(12)25/h4-5,8-9,12,15,18,26H,3,6-7,10,25H2,1-2H3,(H,29,30,31)/t12-,15?,18-/m1/s1.
What are the key properties of 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine?
4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine has a molecular weight of 432.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5R)-5-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-(2-methylpyrimidin-5-yl)-9H-indeno[2,1-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 160561686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).