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

C18H15N11 — CID 62706313

IUPAC3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4cncnc4)cn23)n1
InChIInChI=1S/C18H15N11/c1-10-23-16(27-18(19)24-10)15-17(25-13-4-5-22-28-13)26-14-3-2-11(8-29(14)15)12-6-20-9-21-7-12/h2-9H,1H3,(H2,22,25,28)(H2,19,23,24,27)
InChIKeyVLUBDPDZETYNRC-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.00
Rot. Bonds4

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

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine (PubChem CID 62706313) has the molecular formula C18H15N11 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
PubChem CID62706313
Molecular FormulaC18H15N11
Molecular Weight385.40 g/mol
Exact Mass385.15
IUPAC Name3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
SMILESCc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4cncnc4)cn23)n1
InChIInChI=1S/C18H15N11/c1-10-23-16(27-18(19)24-10)15-17(25-13-4-5-22-28-13)26-14-3-2-11(8-29(14)15)12-6-20-9-21-7-12/h2-9H,1H3,(H2,22,25,28)(H2,19,23,24,27)
InChIKeyVLUBDPDZETYNRC-UHFFFAOYSA-N
XLogP2.00
TPSA148.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine (CID 62706313) is 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine is Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4cncnc4)cn23)n1.
What is the InChIKey of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine?
The InChIKey is VLUBDPDZETYNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N11/c1-10-23-16(27-18(19)24-10)15-17(25-13-4-5-22-28-13)26-14-3-2-11(8-29(14)15)12-6-20-9-21-7-12/h2-9H,1H3,(H2,22,25,28)(H2,19,23,24,27).
What are the key properties of 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine?
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine has a molecular weight of 385.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 62706313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).