4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine

C17H16N8 — CID 139450238

IUPAC4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine
SMILESCc1ccnc(Nc2nc(N)cc(Nc3ccn4ccnc4c3)n2)c1
InChIInChI=1S/C17H16N8/c1-11-2-4-19-14(8-11)23-17-22-13(18)10-15(24-17)21-12-3-6-25-7-5-20-16(25)9-12/h2-10H,1H3,(H4,18,19,21,22,23,24)
InChIKeyFCODFEBMCBVZQX-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.90
Rot. Bonds4

About 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine

4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine (PubChem CID 139450238) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine
PubChem CID139450238
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine
SMILESCc1ccnc(Nc2nc(N)cc(Nc3ccn4ccnc4c3)n2)c1
InChIInChI=1S/C17H16N8/c1-11-2-4-19-14(8-11)23-17-22-13(18)10-15(24-17)21-12-3-6-25-7-5-20-16(25)9-12/h2-10H,1H3,(H4,18,19,21,22,23,24)
InChIKeyFCODFEBMCBVZQX-UHFFFAOYSA-N
XLogP2.90
TPSA106.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine (CID 139450238) is 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine is Cc1ccnc(Nc2nc(N)cc(Nc3ccn4ccnc4c3)n2)c1.
What is the InChIKey of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine?
The InChIKey is FCODFEBMCBVZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-11-2-4-19-14(8-11)23-17-22-13(18)10-15(24-17)21-12-3-6-25-7-5-20-16(25)9-12/h2-10H,1H3,(H4,18,19,21,22,23,24).
What are the key properties of 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine?
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine has a molecular weight of 332.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methyl-2-pyridinyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 139450238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).