4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine

C18H23N7 — CID 171445959

IUPAC4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CCNC(c3cnc4ccccn34)C2)nc(N)n1
InChIInChI=1S/C18H23N7/c1-12(2)13-9-17(23-18(19)22-13)24-8-6-20-14(11-24)15-10-21-16-5-3-4-7-25(15)16/h3-5,7,9-10,12,14,20H,6,8,11H2,1-2H3,(H2,19,22,23)
InChIKeyZIJNVGPWSLNLQI-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.98
Rot. Bonds3

About 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine

4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 171445959) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID171445959
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CCNC(c3cnc4ccccn34)C2)nc(N)n1
InChIInChI=1S/C18H23N7/c1-12(2)13-9-17(23-18(19)22-13)24-8-6-20-14(11-24)15-10-21-16-5-3-4-7-25(15)16/h3-5,7,9-10,12,14,20H,6,8,11H2,1-2H3,(H2,19,22,23)
InChIKeyZIJNVGPWSLNLQI-UHFFFAOYSA-N
XLogP1.98
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine
CID 171446126
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
6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine
CID 171446091
4-(3-imidazo[1,2-c]pyrimidin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171446029
2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol
CID 171446298
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
6-[(3R)-3-(2-bromophenyl)piperazin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 171446272
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-propan-2-ylpyrimidin-2-amine
CID 59777359
(6-imidazo[1,2-a]pyridin-3-ylpiperidin-3-yl)methanamine
CID 82390841
1-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-imidazo[1,5-a]pyridin-1-ylpiperidin-3-ol
CID 171445984
4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171446119

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine (CID 171445959) is 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(N2CCNC(c3cnc4ccccn34)C2)nc(N)n1.
What is the InChIKey of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is ZIJNVGPWSLNLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-12(2)13-9-17(23-18(19)22-13)24-8-6-20-14(11-24)15-10-21-16-5-3-4-7-25(15)16/h3-5,7,9-10,12,14,20H,6,8,11H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine?
4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 171445959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).