6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride

C19H24Cl2F2N6 — CID 154902632

IUPAC6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCc1[nH]c2c(F)cc(F)cc2c1CCNc1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C19H22F2N6.2ClH/c1-9-13(14-6-11(20)7-15(21)18(14)25-9)2-3-24-17-8-16(26-19(23)27-17)10-4-12(22)5-10;;/h6-8,10,12,25H,2-5,22H2,1H3,(H3,23,24,26,27);2*1H
InChIKeyATWJKSIDRVUSCT-UHFFFAOYSA-N
MW445.35 g/mol
LogP3.83
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902632) has the molecular formula C19H24Cl2F2N6 and a molecular weight of 445.35 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154902632
Molecular FormulaC19H24Cl2F2N6
Molecular Weight445.35 g/mol
Exact Mass444.14
IUPAC Name6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCc1[nH]c2c(F)cc(F)cc2c1CCNc1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C19H22F2N6.2ClH/c1-9-13(14-6-11(20)7-15(21)18(14)25-9)2-3-24-17-8-16(26-19(23)27-17)10-4-12(22)5-10;;/h6-8,10,12,25H,2-5,22H2,1H3,(H3,23,24,26,27);2*1H
InChIKeyATWJKSIDRVUSCT-UHFFFAOYSA-N
XLogP3.83
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride 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

6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91768815
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91763057
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
6-(3-aminocyclobutyl)-4-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91785904
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901843
6-(3-aminocyclobutyl)-4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 91843305
6-(3-aminocyclobutyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 91792566
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902821
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 91765713

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride (CID 154902632) is 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride is Cc1[nH]c2c(F)cc(F)cc2c1CCNc1cc(C2CC(N)C2)nc(N)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is ATWJKSIDRVUSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6.2ClH/c1-9-13(14-6-11(20)7-15(21)18(14)25-9)2-3-24-17-8-16(26-19(23)27-17)10-4-12(22)5-10;;/h6-8,10,12,25H,2-5,22H2,1H3,(H3,23,24,26,27);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 445.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).