4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one

C19H26N4O2 — CID 136891657

IUPAC4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one
SMILESC[C@@H](Nc1nc(CCCN2CCOCC2)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-15(16-6-3-2-4-7-16)20-19-21-17(14-18(24)22-19)8-5-9-23-10-12-25-13-11-23/h2-4,6-7,14-15H,5,8-13H2,1H3,(H2,20,21,22,24)/t15-/m1/s1
InChIKeyUDFUSKKSKYUNPD-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.21
Rot. Bonds7

About 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one

4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one (PubChem CID 136891657) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one
PubChem CID136891657
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one
SMILESC[C@@H](Nc1nc(CCCN2CCOCC2)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C19H26N4O2/c1-15(16-6-3-2-4-7-16)20-19-21-17(14-18(24)22-19)8-5-9-23-10-12-25-13-11-23/h2-4,6-7,14-15H,5,8-13H2,1H3,(H2,20,21,22,24)/t15-/m1/s1
InChIKeyUDFUSKKSKYUNPD-OAHLLOKOSA-N
XLogP2.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(1-phenylethylamino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779692
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
2-morpholin-4-yl-4-[(3R)-1-[(3S)-3-phenylbutyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137061511
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
1-(3-morpholin-4-ylpropyl)-8-[[(1R)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70682363
1-(3-morpholin-4-ylpropyl)-8-[[(1S)-1-phenylethyl]amino]-[1,3]oxazolo[4,5-g]quinazolin-2-one
CID 70694948
6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-N-(1-phenylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 69209627
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 136685131

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one (CID 136891657) is 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one is C[C@@H](Nc1nc(CCCN2CCOCC2)cc(=O)[nH]1)c1ccccc1.
What is the InChIKey of 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one?
The InChIKey is UDFUSKKSKYUNPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(16-6-3-2-4-7-16)20-19-21-17(14-18(24)22-19)8-5-9-23-10-12-25-13-11-23/h2-4,6-7,14-15H,5,8-13H2,1H3,(H2,20,21,22,24)/t15-/m1/s1.
What are the key properties of 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one?
4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one has a molecular weight of 342.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropyl)-2-[[(1R)-1-phenylethyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136891657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).