N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine

C17H23N5 — CID 56767060

IUPACN-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NC2CCNCC2)cc(-c2cccnc2)n1
InChIInChI=1S/C17H23N5/c1-12(2)17-21-15(13-4-3-7-19-11-13)10-16(22-17)20-14-5-8-18-9-6-14/h3-4,7,10-12,14,18H,5-6,8-9H2,1-2H3,(H,20,21,22)
InChIKeyMJXJHDLFLOVHGW-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.83
Rot. Bonds4

About N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine

N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 56767060) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID56767060
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)c1nc(NC2CCNCC2)cc(-c2cccnc2)n1
InChIInChI=1S/C17H23N5/c1-12(2)17-21-15(13-4-3-7-19-11-13)10-16(22-17)20-14-5-8-18-9-6-14/h3-4,7,10-12,14,18H,5-6,8-9H2,1-2H3,(H,20,21,22)
InChIKeyMJXJHDLFLOVHGW-UHFFFAOYSA-N
XLogP2.83
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 8732
CID 8732
CID 73341
CID 73341
CID 11687907
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CID 598777
CID 598777
CID 11565518
CID 11565518
CID 2178
CID 2178
CID 667555
CID 667555
CID 16742146
CID 16742146
CID 24782891
CID 24782891
CID 52949700
CID 52949700
CID 446752
CID 446752
CID 5328376
CID 5328376

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine (CID 56767060) is N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine is CC(C)c1nc(NC2CCNCC2)cc(-c2cccnc2)n1.
What is the InChIKey of N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is MJXJHDLFLOVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12(2)17-21-15(13-4-3-7-19-11-13)10-16(22-17)20-14-5-8-18-9-6-14/h3-4,7,10-12,14,18H,5-6,8-9H2,1-2H3,(H,20,21,22).
What are the key properties of N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine?
N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56767060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).