3-methyl-2-(pyrimidin-2-ylamino)pentanamide

C10H16N4O — CID 75432937

IUPAC3-methyl-2-(pyrimidin-2-ylamino)pentanamide
SMILESCCC(C)C(Nc1ncccn1)C(N)=O
InChIInChI=1S/C10H16N4O/c1-3-7(2)8(9(11)15)14-10-12-5-4-6-13-10/h4-8H,3H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyMUHVXKSBTBVINH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds5

About 3-methyl-2-(pyrimidin-2-ylamino)pentanamide

3-methyl-2-(pyrimidin-2-ylamino)pentanamide (PubChem CID 75432937) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-2-(pyrimidin-2-ylamino)pentanamide.

Molecular Properties

Compound Name3-methyl-2-(pyrimidin-2-ylamino)pentanamide
PubChem CID75432937
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-methyl-2-(pyrimidin-2-ylamino)pentanamide
SMILESCCC(C)C(Nc1ncccn1)C(N)=O
InChIInChI=1S/C10H16N4O/c1-3-7(2)8(9(11)15)14-10-12-5-4-6-13-10/h4-8H,3H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyMUHVXKSBTBVINH-UHFFFAOYSA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(pyrimidin-2-ylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrimidin-2-ylamino)pentanamide?
The IUPAC name of 3-methyl-2-(pyrimidin-2-ylamino)pentanamide (CID 75432937) is 3-methyl-2-(pyrimidin-2-ylamino)pentanamide.
What is the SMILES notation for 3-methyl-2-(pyrimidin-2-ylamino)pentanamide?
The canonical SMILES for 3-methyl-2-(pyrimidin-2-ylamino)pentanamide is CCC(C)C(Nc1ncccn1)C(N)=O.
What is the InChIKey of 3-methyl-2-(pyrimidin-2-ylamino)pentanamide?
The InChIKey is MUHVXKSBTBVINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-7(2)8(9(11)15)14-10-12-5-4-6-13-10/h4-8H,3H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-methyl-2-(pyrimidin-2-ylamino)pentanamide?
3-methyl-2-(pyrimidin-2-ylamino)pentanamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrimidin-2-ylamino)pentanamide is sourced from PubChem (CID 75432937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).