2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone

C20H33N5O — CID 95815453

IUPAC2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2CCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C20H33N5O/c1-23(2)19-12-18(21-15-22-19)10-17-13-24(3)8-9-25(14-17)20(26)11-16-6-4-5-7-16/h12,15-17H,4-11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyGUUKWQPGZKKJOJ-KRWDZBQOSA-N
MW359.52 g/mol
LogP2.06
Rot. Bonds5

About 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone

2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone (PubChem CID 95815453) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
PubChem CID95815453
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2CCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C20H33N5O/c1-23(2)19-12-18(21-15-22-19)10-17-13-24(3)8-9-25(14-17)20(26)11-16-6-4-5-7-16/h12,15-17H,4-11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyGUUKWQPGZKKJOJ-KRWDZBQOSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

1-[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]-2-methoxyethanone
CID 110267545
N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 95841173
N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 95841176
1-[4-benzyl-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 110253272
1-[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylsulfonyl-1,4-diazepan-1-yl]-2-methylprop-2-en-1-one
CID 175657921
1-[(6R)-4-benzyl-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 95815330
1-[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 110253285
1-[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 95815355
1-[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 95815440
1-[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110253274
2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 124983695
6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 110110378

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone (CID 95815453) is 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone is CN1CCN(C(=O)CC2CCCC2)C[C@@H](Cc2cc(N(C)C)ncn2)C1.
What is the InChIKey of 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone?
The InChIKey is GUUKWQPGZKKJOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N5O/c1-23(2)19-12-18(21-15-22-19)10-17-13-24(3)8-9-25(14-17)20(26)11-16-6-4-5-7-16/h12,15-17H,4-11,13-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone?
2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone has a molecular weight of 359.52 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 95815453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).