2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide

C10H16N4O2 — CID 106345974

IUPAC2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide
SMILESCOc1cnc(NC(C(N)=O)C(C)C)nc1
InChIInChI=1S/C10H16N4O2/c1-6(2)8(9(11)15)14-10-12-4-7(16-3)5-13-10/h4-6,8H,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyCFNVEMGNTZBFST-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.41
Rot. Bonds5

About 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide

2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide (PubChem CID 106345974) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide
PubChem CID106345974
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide
SMILESCOc1cnc(NC(C(N)=O)C(C)C)nc1
InChIInChI=1S/C10H16N4O2/c1-6(2)8(9(11)15)14-10-12-4-7(16-3)5-13-10/h4-6,8H,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyCFNVEMGNTZBFST-UHFFFAOYSA-N
XLogP0.41
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide (CID 106345974) is 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide is COc1cnc(NC(C(N)=O)C(C)C)nc1.
What is the InChIKey of 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide?
The InChIKey is CFNVEMGNTZBFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)8(9(11)15)14-10-12-4-7(16-3)5-13-10/h4-6,8H,1-3H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide?
2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106345974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).