N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide

C11H16ClN3O3 — CID 114053516

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
SMILESCOc1cc(Cl)nc(NC(=O)CC(C)(C)OC)n1
InChIInChI=1S/C11H16ClN3O3/c1-11(2,18-4)6-8(16)14-10-13-7(12)5-9(15-10)17-3/h5H,6H2,1-4H3,(H,13,14,15,16)
InChIKeyCCCXHGGFDYGVAE-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.89
Rot. Bonds5

About N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide (PubChem CID 114053516) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
PubChem CID114053516
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
SMILESCOc1cc(Cl)nc(NC(=O)CC(C)(C)OC)n1
InChIInChI=1S/C11H16ClN3O3/c1-11(2,18-4)6-8(16)14-10-13-7(12)5-9(15-10)17-3/h5H,6H2,1-4H3,(H,13,14,15,16)
InChIKeyCCCXHGGFDYGVAE-UHFFFAOYSA-N
XLogP1.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
CID 114052879
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
CID 114052914
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide
CID 114053506
4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114053534
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
CID 106114275
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
CID 114053499
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide (CID 114053516) is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide is COc1cc(Cl)nc(NC(=O)CC(C)(C)OC)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide?
The InChIKey is CCCXHGGFDYGVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-11(2,18-4)6-8(16)14-10-13-7(12)5-9(15-10)17-3/h5H,6H2,1-4H3,(H,13,14,15,16).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide has a molecular weight of 273.72 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 114053516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).