N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

C19H30N4O3 — CID 137302255

IUPACN-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCN(C(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O)C1CCCC1
InChIInChI=1S/C19H30N4O3/c1-3-23(15-6-4-5-7-15)17(24)9-8-16-14(2)20-19(21-18(16)25)22-10-12-26-13-11-22/h15H,3-13H2,1-2H3,(H,20,21,25)
InChIKeyRABNHHUGAXBJII-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.64
Rot. Bonds6

About N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 137302255) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID137302255
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCCN(C(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O)C1CCCC1
InChIInChI=1S/C19H30N4O3/c1-3-23(15-6-4-5-7-15)17(24)9-8-16-14(2)20-19(21-18(16)25)22-10-12-26-13-11-22/h15H,3-13H2,1-2H3,(H,20,21,25)
InChIKeyRABNHHUGAXBJII-UHFFFAOYSA-N
XLogP1.64
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137278239
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446
1-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]piperidine-2-carboxylic acid
CID 136948097
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
2-[butan-2-yl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 137108633
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201
4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135667510
5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136679122
N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 137296629
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 137232151
(2S,3S)-3-methyl-2-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]pentanoic acid
CID 136990426

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 137302255) is N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is CCN(C(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is RABNHHUGAXBJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-23(15-6-4-5-7-15)17(24)9-8-16-14(2)20-19(21-18(16)25)22-10-12-26-13-11-22/h15H,3-13H2,1-2H3,(H,20,21,25).
What are the key properties of N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 137302255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).