4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

C18H24N4 — CID 112885084

IUPAC4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)
InChIKeyFAHPWKWHSCNRBO-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.37
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 112885084) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID112885084
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)
InChIKeyFAHPWKWHSCNRBO-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine (CID 112885084) is 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is CC1CCN(c2ccnc(NCCc3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is FAHPWKWHSCNRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine?
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112885084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).