[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 109249920

IUPAC[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCC(Nc1ncc(C(=O)N2CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-14(15-8-4-2-5-9-15)21-18-19-12-16(13-20-18)17(23)22-10-6-3-7-11-22/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyHNOXSLRQTIPDPN-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.28
Rot. Bonds4

About [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249920) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249920
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCC(Nc1ncc(C(=O)N2CCCCC2)cn1)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-14(15-8-4-2-5-9-15)21-18-19-12-16(13-20-18)17(23)22-10-6-3-7-11-22/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyHNOXSLRQTIPDPN-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-phenylethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109256499
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-phenylethylamino)pyrimidin-5-yl]methanone
CID 170310115
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 109247128
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
azepan-1-yl-[2-(2-chloroanilino)pyrimidin-5-yl]methanone
CID 109264876
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249920) is [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone is CC(Nc1ncc(C(=O)N2CCCCC2)cn1)c1ccccc1.
What is the InChIKey of [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is HNOXSLRQTIPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14(15-8-4-2-5-9-15)21-18-19-12-16(13-20-18)17(23)22-10-6-3-7-11-22/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).