4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine

C25H29FN8S — CID 164709725

IUPAC4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(N4CC5(CCN5C)C4)cn3)ncc2F)sc2c1nc(C)n2C(C)C
InChIInChI=1S/C25H29FN8S/c1-14(2)34-16(4)29-20-15(3)22(35-23(20)34)21-18(26)11-28-24(31-21)30-19-7-6-17(10-27-19)33-12-25(13-33)8-9-32(25)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,27,28,30,31)
InChIKeyRWRJLTLDQWHKOY-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.92
Rot. Bonds5

About 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine

4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 164709725) has the molecular formula C25H29FN8S and a molecular weight of 492.63 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID164709725
Molecular FormulaC25H29FN8S
Molecular Weight492.63 g/mol
Exact Mass492.22
IUPAC Name4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(N4CC5(CCN5C)C4)cn3)ncc2F)sc2c1nc(C)n2C(C)C
InChIInChI=1S/C25H29FN8S/c1-14(2)34-16(4)29-20-15(3)22(35-23(20)34)21-18(26)11-28-24(31-21)30-19-7-6-17(10-27-19)33-12-25(13-33)8-9-32(25)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,27,28,30,31)
InChIKeyRWRJLTLDQWHKOY-UHFFFAOYSA-N
XLogP4.92
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
CID 45275254
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093434
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 68310823
12-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 73350370
CID 132254878
CID 132254878
7-N-(3-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-4,7-diamine
CID 89596260
2-(3-fluoro-4-pyridinyl)-7-N-(2-methylphenyl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-4,7-diamine
CID 89596266

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine (CID 164709725) is 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine is Cc1c(-c2nc(Nc3ccc(N4CC5(CCN5C)C4)cn3)ncc2F)sc2c1nc(C)n2C(C)C.
What is the InChIKey of 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is RWRJLTLDQWHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8S/c1-14(2)34-16(4)29-20-15(3)22(35-23(20)34)21-18(26)11-28-24(31-21)30-19-7-6-17(10-27-19)33-12-25(13-33)8-9-32(25)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,27,28,30,31).
What are the key properties of 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 492.63 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)-5-fluoro-N-[5-(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 164709725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).