2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide

C10H15ClN4O2 — CID 136713572

IUPAC2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16)
InChIKeyLQFSZJZUKBPEDZ-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.70
Rot. Bonds4

About 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 136713572) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID136713572
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16)
InChIKeyLQFSZJZUKBPEDZ-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604268
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113604337
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604347
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604350

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide (CID 136713572) is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is LQFSZJZUKBPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-4-15(3)10(17)6(2)14-8-7(11)9(16)13-5-12-8/h5-6H,4H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 258.71 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 136713572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).