4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine

C20H19Cl2N7 — CID 171803213

IUPAC4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
SMILESCc1ncc2ccc(-c3cc(NCC(N)c4cccc(Cl)c4Cl)nc(N)n3)cn12
InChIInChI=1S/C20H19Cl2N7/c1-11-25-8-13-6-5-12(10-29(11)13)17-7-18(28-20(24)27-17)26-9-16(23)14-3-2-4-15(21)19(14)22/h2-8,10,16H,9,23H2,1H3,(H3,24,26,27,28)
InChIKeyYUPKJJWVJNMDCH-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.10
Rot. Bonds5

About 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine

4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine (PubChem CID 171803213) has the molecular formula C20H19Cl2N7 and a molecular weight of 428.33 g/mol. Its IUPAC name is 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
PubChem CID171803213
Molecular FormulaC20H19Cl2N7
Molecular Weight428.33 g/mol
Exact Mass427.11
IUPAC Name4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
SMILESCc1ncc2ccc(-c3cc(NCC(N)c4cccc(Cl)c4Cl)nc(N)n3)cn12
InChIInChI=1S/C20H19Cl2N7/c1-11-25-8-13-6-5-12(10-29(11)13)17-7-18(28-20(24)27-17)26-9-16(23)14-3-2-4-15(21)19(14)22/h2-8,10,16H,9,23H2,1H3,(H3,24,26,27,28)
InChIKeyYUPKJJWVJNMDCH-UHFFFAOYSA-N
XLogP4.10
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide
CID 171803207
4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 46974204
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
4-N-(3-aminopropyl)-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118567875
(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol
CID 166164074
4-N-(2-aminopropyl)-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 142772228
4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]-6-methylbenzene-1,3-dicarboxylic acid
CID 174852404
N-[amino-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methyl]hydroxylamine
CID 118567910
6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
CID 92627903
4-N-but-3-enyl-6-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 118559559
N-[2-amino-2-(2,3-dichlorophenyl)ethyl]ethanesulfinamide
CID 130349740

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine (CID 171803213) is 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine is Cc1ncc2ccc(-c3cc(NCC(N)c4cccc(Cl)c4Cl)nc(N)n3)cn12.
What is the InChIKey of 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?
The InChIKey is YUPKJJWVJNMDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7/c1-11-25-8-13-6-5-12(10-29(11)13)17-7-18(28-20(24)27-17)26-9-16(23)14-3-2-4-15(21)19(14)22/h2-8,10,16H,9,23H2,1H3,(H3,24,26,27,28).
What are the key properties of 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine?
4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine has a molecular weight of 428.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171803213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).