1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone

C18H27N5O2 — CID 109254645

IUPAC1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(NC3CCCCCC3)nc2)CC1
InChIInChI=1S/C18H27N5O2/c1-14(24)22-8-10-23(11-9-22)17(25)15-12-19-18(20-13-15)21-16-6-4-2-3-5-7-16/h12-13,16H,2-11H2,1H3,(H,19,20,21)
InChIKeyYFXBDYLMTHXDTI-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.92
Rot. Bonds3

About 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109254645) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID109254645
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(NC3CCCCCC3)nc2)CC1
InChIInChI=1S/C18H27N5O2/c1-14(24)22-8-10-23(11-9-22)17(25)15-12-19-18(20-13-15)21-16-6-4-2-3-5-7-16/h12-13,16H,2-11H2,1H3,(H,19,20,21)
InChIKeyYFXBDYLMTHXDTI-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038061
4-amino-2-[(3R)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118038785
4-(cyclohexylmethylamino)-N-(2-methylpropyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidine-5-carboxamide
CID 45488300
4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 45488304
4-(cyclopentylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488434
4-(cyclohexylmethylamino)-2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488495
4-(cyclopentylamino)-N-(2-methylpropyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]pyrimidine-5-carboxamide
CID 45488506
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488650
4-(cyclohexylmethylamino)-2-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488715
2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489239
2-(cyclohexylamino)-N-hydroxypyrimidine-5-carboxamide
CID 57382287
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide [188]
CID 87356065

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone (CID 109254645) is 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnc(NC3CCCCCC3)nc2)CC1.
What is the InChIKey of 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is YFXBDYLMTHXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(24)22-8-10-23(11-9-22)17(25)15-12-19-18(20-13-15)21-16-6-4-2-3-5-7-16/h12-13,16H,2-11H2,1H3,(H,19,20,21).
What are the key properties of 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 345.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109254645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).