2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C10H14ClN3O3 — CID 114585181

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)N(C)C)c1=O
InChIInChI=1S/C10H14ClN3O3/c1-6(9(15)13(2)3)14-5-12-8(11)7(17-4)10(14)16/h5-6H,1-4H3
InChIKeyNTLMRTRHNIAUFP-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.55
Rot. Bonds3

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114585181) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114585181
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)N(C)C)c1=O
InChIInChI=1S/C10H14ClN3O3/c1-6(9(15)13(2)3)14-5-12-8(11)7(17-4)10(14)16/h5-6H,1-4H3
InChIKeyNTLMRTRHNIAUFP-UHFFFAOYSA-N
XLogP0.55
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582538
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114585324
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114585409
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 114585430
3-but-3-en-2-yl-6-chloro-5-methoxypyrimidin-4-one
CID 114585139
2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide
CID 116621752
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412
3-butyl-6-chloro-5-methoxypyrimidin-4-one
CID 114585317
6-chloro-5-methoxy-3-prop-2-enylpyrimidin-4-one
CID 114585117
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 114585387
4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114585353
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583580

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114585181) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is COc1c(Cl)ncn(C(C)C(=O)N(C)C)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is NTLMRTRHNIAUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6(9(15)13(2)3)14-5-12-8(11)7(17-4)10(14)16/h5-6H,1-4H3.
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 259.69 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 114585181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).