1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea

C17H23N5O2 — CID 137027899

IUPAC1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C17H23N5O2/c1-3-4-7-15(13-6-5-8-18-10-13)22(2)17(24)19-11-14-9-16(23)21-12-20-14/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3,(H,19,24)(H,20,21,23)/t15-/m1/s1
InChIKeySIWIPFWTVNGLBS-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.24
Rot. Bonds7

About 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea

1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea (PubChem CID 137027899) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
PubChem CID137027899
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C17H23N5O2/c1-3-4-7-15(13-6-5-8-18-10-13)22(2)17(24)19-11-14-9-16(23)21-12-20-14/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3,(H,19,24)(H,20,21,23)/t15-/m1/s1
InChIKeySIWIPFWTVNGLBS-OAHLLOKOSA-N
XLogP2.24
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea with MolForge

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Related Compounds

1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 137027898
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
CID 119069380
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
CID 125172275
3-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-1-[(1R)-1-pyridin-3-ylpropyl]urea
CID 126434780
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
CID 125156737
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 131908751
6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
CID 99935099
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
CID 96580826

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea?
The IUPAC name of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea (CID 137027899) is 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea.
What is the SMILES notation for 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea?
The canonical SMILES for 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea is CCCC[C@H](c1cccnc1)N(C)C(=O)NCc1cc(=O)[nH]cn1.
What is the InChIKey of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea?
The InChIKey is SIWIPFWTVNGLBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-4-7-15(13-6-5-8-18-10-13)22(2)17(24)19-11-14-9-16(23)21-12-20-14/h5-6,8-10,12,15H,3-4,7,11H2,1-2H3,(H,19,24)(H,20,21,23)/t15-/m1/s1.
What are the key properties of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea?
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea is sourced from PubChem (CID 137027899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).