3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide

C9H15N5O — CID 80818610

IUPAC3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(N)ncc1C
InChIInChI=1S/C9H15N5O/c1-6-5-13-9(10)14-8(6)12-4-3-7(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H3,10,12,13,14)
InChIKeyKFLNIPQGVNKLIW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.08
Rot. Bonds4

About 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide

3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80818610) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80818610
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(N)ncc1C
InChIInChI=1S/C9H15N5O/c1-6-5-13-9(10)14-8(6)12-4-3-7(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H3,10,12,13,14)
InChIKeyKFLNIPQGVNKLIW-UHFFFAOYSA-N
XLogP-0.08
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide (CID 80818610) is 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nc(N)ncc1C.
What is the InChIKey of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is KFLNIPQGVNKLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-5-13-9(10)14-8(6)12-4-3-7(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H3,10,12,13,14).
What are the key properties of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide?
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 209.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80818610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).