3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

C10H15ClN4O2 — CID 136914198

IUPAC3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-6(9(16)12-2)4-15(3)8-7(11)10(17)14-5-13-8/h5-6H,4H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyYWVGUENPAOQILF-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.24
Rot. Bonds4

About 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 136914198) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID136914198
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-6(9(16)12-2)4-15(3)8-7(11)10(17)14-5-13-8/h5-6H,4H2,1-3H3,(H,12,16)(H,13,14,17)
InChIKeyYWVGUENPAOQILF-UHFFFAOYSA-N
XLogP0.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-Dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582894
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114583184
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114583283
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671887
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794217
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843228
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843237
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 136900960
5-chloro-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 136908659
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 136914197

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 136914198) is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is YWVGUENPAOQILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-6(9(16)12-2)4-15(3)8-7(11)10(17)14-5-13-8/h5-6H,4H2,1-3H3,(H,12,16)(H,13,14,17).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 258.71 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 136914198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).