3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide

C9H13ClN4O3 — CID 106114275

IUPAC3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
SMILESCOc1cc(Cl)nc(NC(=O)C(CN)OC)n1
InChIInChI=1S/C9H13ClN4O3/c1-16-5(4-11)8(15)14-9-12-6(10)3-7(13-9)17-2/h3,5H,4,11H2,1-2H3,(H,12,13,14,15)
InChIKeyYWXOLOFOVPIMOR-UHFFFAOYSA-N
MW260.68 g/mol
LogP0.05
Rot. Bonds5

About 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide

3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide (PubChem CID 106114275) has the molecular formula C9H13ClN4O3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
PubChem CID106114275
Molecular FormulaC9H13ClN4O3
Molecular Weight260.68 g/mol
Exact Mass260.07
IUPAC Name3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
SMILESCOc1cc(Cl)nc(NC(=O)C(CN)OC)n1
InChIInChI=1S/C9H13ClN4O3/c1-16-5(4-11)8(15)14-9-12-6(10)3-7(13-9)17-2/h3,5H,4,11H2,1-2H3,(H,12,13,14,15)
InChIKeyYWXOLOFOVPIMOR-UHFFFAOYSA-N
XLogP0.05
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)pent-4-ynamide
CID 114052896
(2S)-2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052893
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
3-amino-2-methoxy-N-(1,2,4-triazin-3-yl)propanamide
CID 106113956
3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
CID 114052879
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide (CID 106114275) is 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide is COc1cc(Cl)nc(NC(=O)C(CN)OC)n1.
What is the InChIKey of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide?
The InChIKey is YWXOLOFOVPIMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3/c1-16-5(4-11)8(15)14-9-12-6(10)3-7(13-9)17-2/h3,5H,4,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide?
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide has a molecular weight of 260.68 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide is sourced from PubChem (CID 106114275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).