3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide

C17H29N5O2 — CID 59388224

IUPAC3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)NC3CCCC3)C2)N=C1N
InChIInChI=1S/C17H29N5O2/c1-17(10-14(23)21(2)15(18)20-17)12-6-5-9-22(11-12)16(24)19-13-7-3-4-8-13/h12-13H,3-11H2,1-2H3,(H2,18,20)(H,19,24)/t12?,17-/m0/s1
InChIKeyUBSVUTDKQMAMKG-TYJDENFWSA-N
MW335.45 g/mol
LogP1.29
Rot. Bonds2

About 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide

3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide (PubChem CID 59388224) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide
PubChem CID59388224
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)NC3CCCC3)C2)N=C1N
InChIInChI=1S/C17H29N5O2/c1-17(10-14(23)21(2)15(18)20-17)12-6-5-9-22(11-12)16(24)19-13-7-3-4-8-13/h12-13H,3-11H2,1-2H3,(H2,18,20)(H,19,24)/t12?,17-/m0/s1
InChIKeyUBSVUTDKQMAMKG-TYJDENFWSA-N
XLogP1.29
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-amino-4-(1-carbamimidoylpiperidin-4-yl)-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylbutanamide
CID 51346806
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide
CID 53322886
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-[1-(N'-methylcarbamimidoyl)piperidin-4-yl]butanamide
CID 53326768
(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 118719668
4-(2-amino-4,4-dibutyl-5-oxoimidazol-1-yl)-N-butylpiperidine-1-carboxamide
CID 57843719
3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 57844931
(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one
CID 59386992
(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387064
(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387218
(6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
CID 59387575
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59387592
(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387721

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide?
The IUPAC name of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide (CID 59388224) is 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide is CN1C(=O)C[C@@](C)(C2CCCN(C(=O)NC3CCCC3)C2)N=C1N.
What is the InChIKey of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide?
The InChIKey is UBSVUTDKQMAMKG-TYJDENFWSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(10-14(23)21(2)15(18)20-17)12-6-5-9-22(11-12)16(24)19-13-7-3-4-8-13/h12-13H,3-11H2,1-2H3,(H2,18,20)(H,19,24)/t12?,17-/m0/s1.
What are the key properties of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide?
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclopentylpiperidine-1-carboxamide is sourced from PubChem (CID 59388224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).