(4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone

C17H26N4O — CID 70785332

IUPAC(4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCCN(C3CCCC3)CC2)cn1
InChIInChI=1S/C17H26N4O/c1-2-16-18-12-14(13-19-16)17(22)21-9-5-8-20(10-11-21)15-6-3-4-7-15/h12-13,15H,2-11H2,1H3
InChIKeyHNKGKIPZNNHKQI-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.13
Rot. Bonds3

About (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone

(4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone (PubChem CID 70785332) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone
PubChem CID70785332
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncc(C(=O)N2CCCN(C3CCCC3)CC2)cn1
InChIInChI=1S/C17H26N4O/c1-2-16-18-12-14(13-19-16)17(22)21-9-5-8-20(10-11-21)15-6-3-4-7-15/h12-13,15H,2-11H2,1H3
InChIKeyHNKGKIPZNNHKQI-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylamino)-N-(2-methylpropyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide
CID 45488379
2-(3-aminopropylamino)-4-(cyclopentylamino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 45488650
5-Pyrimidinecarboxamide, 2-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-
CID 3042986
2-Ethyl-5-{[3-(1-piperidinyl)-1-azetidinyl]carbonyl}pyrimidine
CID 72857165
(4-Cyclohexyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone
CID 72857986
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
6-(Cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741259
6-(Cyclopropylmethyl)-9-methyl-2-[methyl(propyl)amino]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741285
6-(Cyclopropylmethyl)-9-methyl-2-pyrrolidin-1-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741428
6-(Cyclopropylmethyl)-9-methyl-2-piperidin-1-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741429
(2-ethylpyrimidin-5-yl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 155560726
4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 137349434

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone?
The IUPAC name of (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone (CID 70785332) is (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone.
What is the SMILES notation for (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone?
The canonical SMILES for (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone is CCc1ncc(C(=O)N2CCCN(C3CCCC3)CC2)cn1.
What is the InChIKey of (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone?
The InChIKey is HNKGKIPZNNHKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-16-18-12-14(13-19-16)17(22)21-9-5-8-20(10-11-21)15-6-3-4-7-15/h12-13,15H,2-11H2,1H3.
What are the key properties of (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone?
(4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70785332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).