1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C20H23N5O2 — CID 112851714

IUPAC1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H23N5O2/c1-14(26)24-9-11-25(12-10-24)20(27)17-13-18(21-16-7-8-16)23-19(22-17)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,21,22,23)
InChIKeyGSNMDJBUOYNPBR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.02
Rot. Bonds4

About 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 112851714) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID112851714
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H23N5O2/c1-14(26)24-9-11-25(12-10-24)20(27)17-13-18(21-16-7-8-16)23-19(22-17)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,21,22,23)
InChIKeyGSNMDJBUOYNPBR-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112852804
1-[4-[[6-[(3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidine-1-carbonyl]-2-phenylpyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 163629381
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112852344
[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112853813
6-(cyclopropylamino)-2-phenyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112851758
(4-ethylpiperazin-1-yl)-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853533
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
[6-(4-methylanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852761
azepan-1-yl-[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112854359

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 112851714) is 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(NC3CC3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is GSNMDJBUOYNPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(26)24-9-11-25(12-10-24)20(27)17-13-18(21-16-7-8-16)23-19(22-17)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,21,22,23).
What are the key properties of 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112851714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).