4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

C17H23N5 — CID 162660041

IUPAC4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3cccnc3)n2)CC1
InChIInChI=1S/C17H23N5/c1-14-6-11-22(12-7-14)16-5-10-20-17(21-16)19-9-4-15-3-2-8-18-13-15/h2-3,5,8,10,13-14H,4,6-7,9,11-12H2,1H3,(H,19,20,21)
InChIKeySTCJLASPKWDPCG-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.76
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 162660041) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID162660041
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3cccnc3)n2)CC1
InChIInChI=1S/C17H23N5/c1-14-6-11-22(12-7-14)16-5-10-20-17(21-16)19-9-4-15-3-2-8-18-13-15/h2-3,5,8,10,13-14H,4,6-7,9,11-12H2,1H3,(H,19,20,21)
InChIKeySTCJLASPKWDPCG-UHFFFAOYSA-N
XLogP2.76
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 8732
CID 8732
CID 23362
CID 23362
CID 73341
CID 73341
CID 11687907
CID 11687907
CID 11565518
CID 11565518
CID 83053
CID 83053
CID 2178
CID 2178
CID 16742146
CID 16742146
CID 52949700
CID 52949700
CID 57584772
CID 57584772
CID 67983123
CID 67983123
CID 948954
CID 948954

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (CID 162660041) is 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is CC1CCN(c2ccnc(NCCc3cccnc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is STCJLASPKWDPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-6-11-22(12-7-14)16-5-10-20-17(21-16)19-9-4-15-3-2-8-18-13-15/h2-3,5,8,10,13-14H,4,6-7,9,11-12H2,1H3,(H,19,20,21).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 162660041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).