N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine

C17H16Cl2N6O — CID 21081089

IUPACN-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCOc1cnc(Nc2ccc(Cl)c(Cl)c2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H16Cl2N6O/c1-26-15-7-20-17(23-10-2-3-11(18)12(19)6-10)24-16(15)25-5-4-13-14(8-25)22-9-21-13/h2-3,6-7,9H,4-5,8H2,1H3,(H,21,22)(H,20,23,24)
InChIKeyAPGNQSIIJKWTTL-UHFFFAOYSA-N
MW391.26 g/mol
LogP3.82
Rot. Bonds4

About N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine

N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine (PubChem CID 21081089) has the molecular formula C17H16Cl2N6O and a molecular weight of 391.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
PubChem CID21081089
Molecular FormulaC17H16Cl2N6O
Molecular Weight391.26 g/mol
Exact Mass390.08
IUPAC NameN-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
SMILESCOc1cnc(Nc2ccc(Cl)c(Cl)c2)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C17H16Cl2N6O/c1-26-15-7-20-17(23-10-2-3-11(18)12(19)6-10)24-16(15)25-5-4-13-14(8-25)22-9-21-13/h2-3,6-7,9H,4-5,8H2,1H3,(H,21,22)(H,20,23,24)
InChIKeyAPGNQSIIJKWTTL-UHFFFAOYSA-N
XLogP3.82
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-(4-piperazin-1-ylphenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 23648870
N-(3-chlorophenyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 21080660
N,N-dimethyl-4-[[5-methyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 67210638
3-[(5-methoxy-4-piperazin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 171849376
4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(3-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 44816276
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
CID 45493316
2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine
CID 175549085
2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
5-chloro-2-[3-methoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]anilino]pyrimidine-4-carboxylic acid
CID 169085574
N-(3-chloro-4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112957900

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine (CID 21081089) is N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine is COc1cnc(Nc2ccc(Cl)c(Cl)c2)nc1N1CCc2nc[nH]c2C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
The InChIKey is APGNQSIIJKWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O/c1-26-15-7-20-17(23-10-2-3-11(18)12(19)6-10)24-16(15)25-5-4-13-14(8-25)22-9-21-13/h2-3,6-7,9H,4-5,8H2,1H3,(H,21,22)(H,20,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine?
N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine has a molecular weight of 391.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-methoxy-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 21081089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).