N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide

C19H28N4O4 — CID 136740195

IUPACN-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N2CCOC[C@H]2CC(=O)NC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C19H28N4O4/c1-12-16(19(26)21-13(2)20-12)10-18(25)23-7-8-27-11-15(23)9-17(24)22-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3,(H,22,24)(H,20,21,26)/t15-/m1/s1
InChIKeyWWEPPTNWEFJLCC-OAHLLOKOSA-N
MW376.46 g/mol
LogP0.61
Rot. Bonds5

About N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide

N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide (PubChem CID 136740195) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide
PubChem CID136740195
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide
SMILESCc1nc(C)c(CC(=O)N2CCOC[C@H]2CC(=O)NC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C19H28N4O4/c1-12-16(19(26)21-13(2)20-12)10-18(25)23-7-8-27-11-15(23)9-17(24)22-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3,(H,22,24)(H,20,21,26)/t15-/m1/s1
InChIKeyWWEPPTNWEFJLCC-OAHLLOKOSA-N
XLogP0.61
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979
2-butyl-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
CID 170353550
2,3-dimethyl-6-(3-morpholinylacetyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 56910816
2,3-dimethyl-6-[2-[(3R)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725994
2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725995
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 135896980
2,4-dimethyl-5-[2-oxo-2-(3-propoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136044749
2,4-dimethyl-5-[1-(2-morpholin-4-ylethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091255
2,4-dimethyl-5-[1-(3-morpholin-4-ylpropylamino)ethyl]-1H-pyrimidin-6-one
CID 136091300
2,4-dimethyl-5-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136091426
2-(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)acetamide
CID 136102798
N-cyclopentyl-2-{4-[(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-3-morpholinyl}acetamide
CID 136112862

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide (CID 136740195) is N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide is Cc1nc(C)c(CC(=O)N2CCOC[C@H]2CC(=O)NC2CCCC2)c(=O)[nH]1.
What is the InChIKey of N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide?
The InChIKey is WWEPPTNWEFJLCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-12-16(19(26)21-13(2)20-12)10-18(25)23-7-8-27-11-15(23)9-17(24)22-14-5-3-4-6-14/h14-15H,3-11H2,1-2H3,(H,22,24)(H,20,21,26)/t15-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide?
N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide is sourced from PubChem (CID 136740195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).