1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine

C16H20N4 — CID 103278594

IUPAC1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
SMILESCc1nc(N2CCC(N)CC2)ncc1-c1ccccc1
InChIInChI=1S/C16H20N4/c1-12-15(13-5-3-2-4-6-13)11-18-16(19-12)20-9-7-14(17)8-10-20/h2-6,11,14H,7-10,17H2,1H3
InChIKeyHBVSHNIBEOKGBY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine

1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine (PubChem CID 103278594) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
PubChem CID103278594
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
SMILESCc1nc(N2CCC(N)CC2)ncc1-c1ccccc1
InChIInChI=1S/C16H20N4/c1-12-15(13-5-3-2-4-6-13)11-18-16(19-12)20-9-7-14(17)8-10-20/h2-6,11,14H,7-10,17H2,1H3
InChIKeyHBVSHNIBEOKGBY-UHFFFAOYSA-N
XLogP2.38
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine (CID 103278594) is 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine is Cc1nc(N2CCC(N)CC2)ncc1-c1ccccc1.
What is the InChIKey of 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine?
The InChIKey is HBVSHNIBEOKGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-15(13-5-3-2-4-6-13)11-18-16(19-12)20-9-7-14(17)8-10-20/h2-6,11,14H,7-10,17H2,1H3.
What are the key properties of 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine?
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 103278594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).