4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine

C17H13Cl2N7 — CID 67383893

IUPAC4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)ncn1
InChIInChI=1S/C17H13Cl2N7/c1-20-12-7-13(23-8-22-12)25-17-15-11(5-6-21-17)24-16(26-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,24,26)(H2,20,21,22,23,25)
InChIKeyGZZUNAQJDDFJJM-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.51
Rot. Bonds4

About 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine

4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 67383893) has the molecular formula C17H13Cl2N7 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID67383893
Molecular FormulaC17H13Cl2N7
Molecular Weight386.25 g/mol
Exact Mass385.06
IUPAC Name4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)ncn1
InChIInChI=1S/C17H13Cl2N7/c1-20-12-7-13(23-8-22-12)25-17-15-11(5-6-21-17)24-16(26-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,24,26)(H2,20,21,22,23,25)
InChIKeyGZZUNAQJDDFJJM-UHFFFAOYSA-N
XLogP4.51
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine (CID 67383893) is 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)ncn1.
What is the InChIKey of 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is GZZUNAQJDDFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N7/c1-20-12-7-13(23-8-22-12)25-17-15-11(5-6-21-17)24-16(26-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,24,26)(H2,20,21,22,23,25).
What are the key properties of 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 386.25 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 67383893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).