[4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 90724941

IUPAC[4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ncnc(-c2ccccc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H22N4O/c1-21(2)17-15(18(23)22-11-7-4-8-12-22)16(19-13-20-17)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyKPPFVZFOVLHVPE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.84
Rot. Bonds3

About [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone

[4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 90724941) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID90724941
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCN(C)c1ncnc(-c2ccccc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H22N4O/c1-21(2)17-15(18(23)22-11-7-4-8-12-22)16(19-13-20-17)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3
InChIKeyKPPFVZFOVLHVPE-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone (CID 90724941) is [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone is CN(C)c1ncnc(-c2ccccc2)c1C(=O)N1CCCCC1.
What is the InChIKey of [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is KPPFVZFOVLHVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(2)17-15(18(23)22-11-7-4-8-12-22)16(19-13-20-17)14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3.
What are the key properties of [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone?
[4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 90724941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).