1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C14H21N5O2 — CID 109338654

IUPAC1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NC(C)C)ncn2)CC1
InChIInChI=1S/C14H21N5O2/c1-10(2)17-13-8-12(15-9-16-13)14(21)19-6-4-18(5-7-19)11(3)20/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyRWRICCNJYSBEQM-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.60
Rot. Bonds3

About 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109338654) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109338654
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(NC(C)C)ncn2)CC1
InChIInChI=1S/C14H21N5O2/c1-10(2)17-13-8-12(15-9-16-13)14(21)19-6-4-18(5-7-19)11(3)20/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyRWRICCNJYSBEQM-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(1-phenylethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109345995
[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-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
[6-(butan-2-ylamino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109340625
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
1-[4-[6-(4-chloro-2-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346072
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346083
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
2-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109346116
1-[4-[6-[4-(diethylamino)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346100

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109338654) is 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(NC(C)C)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is RWRICCNJYSBEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10(2)17-13-8-12(15-9-16-13)14(21)19-6-4-18(5-7-19)11(3)20/h8-10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 291.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109338654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).