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

C19H17Cl2N7 — CID 67383148

IUPAC6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)cc(N(C)C)n1
InChIInChI=1S/C19H17Cl2N7/c1-10-23-14(9-15(24-10)28(2)3)26-19-17-13(7-8-22-19)25-18(27-17)16-11(20)5-4-6-12(16)21/h4-9H,1-3H3,(H,25,27)(H,22,23,24,26)
InChIKeyZMWNZVPHESZOJV-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.84
Rot. Bonds4

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

6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine (PubChem CID 67383148) has the molecular formula C19H17Cl2N7 and a molecular weight of 414.30 g/mol. Its IUPAC name is 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
PubChem CID67383148
Molecular FormulaC19H17Cl2N7
Molecular Weight414.30 g/mol
Exact Mass413.09
IUPAC Name6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)cc(N(C)C)n1
InChIInChI=1S/C19H17Cl2N7/c1-10-23-14(9-15(24-10)28(2)3)26-19-17-13(7-8-22-19)25-18(27-17)16-11(20)5-4-6-12(16)21/h4-9H,1-3H3,(H,25,27)(H,22,23,24,26)
InChIKeyZMWNZVPHESZOJV-UHFFFAOYSA-N
XLogP4.84
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine (CID 67383148) is 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine is Cc1nc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)cc(N(C)C)n1.
What is the InChIKey of 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The InChIKey is ZMWNZVPHESZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N7/c1-10-23-14(9-15(24-10)28(2)3)26-19-17-13(7-8-22-19)25-18(27-17)16-11(20)5-4-6-12(16)21/h4-9H,1-3H3,(H,25,27)(H,22,23,24,26).
What are the key properties of 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine has a molecular weight of 414.30 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 67383148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).