2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C20H22N8 — CID 90183743

IUPAC2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCNc1ccc(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)cn1
InChIInChI=1S/C20H22N8/c1-12(2)28-13(3)25-15-11-24-19(9-16(15)28)26-18-7-8-22-20(27-18)14-5-6-17(21-4)23-10-14/h5-12H,1-4H3,(H,21,23)(H,22,24,26,27)
InChIKeyPOUYFXRJEWJLKV-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.96
Rot. Bonds5

About 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90183743) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90183743
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCNc1ccc(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)cn1
InChIInChI=1S/C20H22N8/c1-12(2)28-13(3)25-15-11-24-19(9-16(15)28)26-18-7-8-22-20(27-18)14-5-6-17(21-4)23-10-14/h5-12H,1-4H3,(H,21,23)(H,22,24,26,27)
InChIKeyPOUYFXRJEWJLKV-UHFFFAOYSA-N
XLogP3.96
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90183743) is 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is CNc1ccc(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)cn1.
What is the InChIKey of 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is POUYFXRJEWJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-12(2)28-13(3)25-15-11-24-19(9-16(15)28)26-18-7-8-22-20(27-18)14-5-6-17(21-4)23-10-14/h5-12H,1-4H3,(H,21,23)(H,22,24,26,27).
What are the key properties of 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 374.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).