2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide

C9H13ClN4O2 — CID 71908396

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
SMILESCOCC(Nc1cc(Cl)nc(C)n1)C(N)=O
InChIInChI=1S/C9H13ClN4O2/c1-5-12-7(10)3-8(13-5)14-6(4-16-2)9(11)15/h3,6H,4H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyUAAFQKODOUWHHQ-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.35
Rot. Bonds5

About 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide (PubChem CID 71908396) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
PubChem CID71908396
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
SMILESCOCC(Nc1cc(Cl)nc(C)n1)C(N)=O
InChIInChI=1S/C9H13ClN4O2/c1-5-12-7(10)3-8(13-5)14-6(4-16-2)9(11)15/h3,6H,4H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyUAAFQKODOUWHHQ-UHFFFAOYSA-N
XLogP0.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide (CID 71908396) is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide is COCC(Nc1cc(Cl)nc(C)n1)C(N)=O.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
The InChIKey is UAAFQKODOUWHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-5-12-7(10)3-8(13-5)14-6(4-16-2)9(11)15/h3,6H,4H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide?
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide has a molecular weight of 244.68 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide is sourced from PubChem (CID 71908396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).