1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C19H23N5O2 — CID 109345995

IUPAC1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NC(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14(16-6-4-3-5-7-16)22-18-12-17(20-13-21-18)19(26)24-10-8-23(9-11-24)15(2)25/h3-7,12-14H,8-11H2,1-2H3,(H,20,21,22)
InChIKeyWDBYTQBFFYRCMN-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109345995) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109345995
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NC(C)c3ccccc3)ncn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14(16-6-4-3-5-7-16)22-18-12-17(20-13-21-18)19(26)24-10-8-23(9-11-24)15(2)25/h3-7,12-14H,8-11H2,1-2H3,(H,20,21,22)
InChIKeyWDBYTQBFFYRCMN-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109338654
1-[4-[6-(1-phenylethylamino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117215
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
N-(2-ethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347562
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[6-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109338701
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095
1-[4-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871168
2-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109346116
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109340634

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109345995) is 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(NC(C)c3ccccc3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is WDBYTQBFFYRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14(16-6-4-3-5-7-16)22-18-12-17(20-13-21-18)19(26)24-10-8-23(9-11-24)15(2)25/h3-7,12-14H,8-11H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 353.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109345995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).