2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide

C9H15N5O — CID 80788224

IUPAC2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1ncnc(NC(C)C(N)=O)c1C
InChIInChI=1S/C9H15N5O/c1-5-8(11-3)12-4-13-9(5)14-6(2)7(10)15/h4,6H,1-3H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyOTZFNWYIFSREMI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.11
Rot. Bonds4

About 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide

2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80788224) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80788224
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCNc1ncnc(NC(C)C(N)=O)c1C
InChIInChI=1S/C9H15N5O/c1-5-8(11-3)12-4-13-9(5)14-6(2)7(10)15/h4,6H,1-3H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyOTZFNWYIFSREMI-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide (CID 80788224) is 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide is CNc1ncnc(NC(C)C(N)=O)c1C.
What is the InChIKey of 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is OTZFNWYIFSREMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-5-8(11-3)12-4-13-9(5)14-6(2)7(10)15/h4,6H,1-3H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide?
2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 209.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80788224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).