2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide

C11H17ClN4O2 — CID 133394626

IUPAC2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1nc(OC)ncc1Cl)C(C)C
InChIInChI=1S/C11H17ClN4O2/c1-6(2)8(10(17)13-3)15-9-7(12)5-14-11(16-9)18-4/h5-6,8H,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyGFHVOYSZPVMBOI-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.32
Rot. Bonds5

About 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide

2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide (PubChem CID 133394626) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
PubChem CID133394626
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1nc(OC)ncc1Cl)C(C)C
InChIInChI=1S/C11H17ClN4O2/c1-6(2)8(10(17)13-3)15-9-7(12)5-14-11(16-9)18-4/h5-6,8H,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyGFHVOYSZPVMBOI-UHFFFAOYSA-N
XLogP1.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide?
The IUPAC name of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide (CID 133394626) is 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide?
The canonical SMILES for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide is CNC(=O)C(Nc1nc(OC)ncc1Cl)C(C)C.
What is the InChIKey of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide?
The InChIKey is GFHVOYSZPVMBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-6(2)8(10(17)13-3)15-9-7(12)5-14-11(16-9)18-4/h5-6,8H,1-4H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide?
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide has a molecular weight of 272.74 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 133394626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).