4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine

C17H22N8 — CID 171446126

IUPAC4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCC(C)c1cc(N2CCNC(c3nnc4ccccn34)C2)nc(N)n1
InChIInChI=1S/C17H22N8/c1-11(2)12-9-15(21-17(18)20-12)24-8-6-19-13(10-24)16-23-22-14-5-3-4-7-25(14)16/h3-5,7,9,11,13,19H,6,8,10H2,1-2H3,(H2,18,20,21)
InChIKeyJUTNQTVOLZPAPS-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.38
Rot. Bonds3

About 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine

4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 171446126) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID171446126
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCC(C)c1cc(N2CCNC(c3nnc4ccccn34)C2)nc(N)n1
InChIInChI=1S/C17H22N8/c1-11(2)12-9-15(21-17(18)20-12)24-8-6-19-13(10-24)16-23-22-14-5-3-4-7-25(14)16/h3-5,7,9,11,13,19H,6,8,10H2,1-2H3,(H2,18,20,21)
InChIKeyJUTNQTVOLZPAPS-UHFFFAOYSA-N
XLogP1.38
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171445959
4-[3-(2-bromophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 171445988
4-propan-2-yl-6-[3-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]pyrimidin-2-amine
CID 171446245
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 171446272
4-(3-imidazo[1,2-c]pyrimidin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171446029
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-propan-2-ylpyrimidin-2-amine
CID 59777359
3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86797164
N,N-dimethyl-4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 133432465
2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol
CID 171446298
3-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 165435645

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine (CID 171446126) is 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine is CC(C)c1cc(N2CCNC(c3nnc4ccccn34)C2)nc(N)n1.
What is the InChIKey of 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is JUTNQTVOLZPAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-11(2)12-9-15(21-17(18)20-12)24-8-6-19-13(10-24)16-23-22-14-5-3-4-7-25(14)16/h3-5,7,9,11,13,19H,6,8,10H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine?
4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 171446126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).