3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine

C19H17N11 — CID 62706471

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cncnc4)cn23)n1
InChIInChI=1S/C19H17N11/c1-11-23-17(27-19(20)24-11)16-18(25-14-5-6-29(2)28-14)26-15-4-3-12(9-30(15)16)13-7-21-10-22-8-13/h3-10H,1-2H3,(H,25,28)(H2,20,23,24,27)
InChIKeyTUWJPVMJCJKZBV-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.01
Rot. Bonds4

About 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine (PubChem CID 62706471) has the molecular formula C19H17N11 and a molecular weight of 399.42 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
PubChem CID62706471
Molecular FormulaC19H17N11
Molecular Weight399.42 g/mol
Exact Mass399.17
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cncnc4)cn23)n1
InChIInChI=1S/C19H17N11/c1-11-23-17(27-19(20)24-11)16-18(25-14-5-6-29(2)28-14)26-15-4-3-12(9-30(15)16)13-7-21-10-22-8-13/h3-10H,1-2H3,(H,25,28)(H2,20,23,24,27)
InChIKeyTUWJPVMJCJKZBV-UHFFFAOYSA-N
XLogP2.01
TPSA137.62 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine (CID 62706471) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine is Cc1nc(N)nc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cncnc4)cn23)n1.
What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is TUWJPVMJCJKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N11/c1-11-23-17(27-19(20)24-11)16-18(25-14-5-6-29(2)28-14)26-15-4-3-12(9-30(15)16)13-7-21-10-22-8-13/h3-10H,1-2H3,(H,25,28)(H2,20,23,24,27).
What are the key properties of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine?
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 399.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 62706471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).