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

C8H13N5O — CID 79918137

IUPAC2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncncc1N
InChIInChI=1S/C8H13N5O/c1-5(8(14)10-2)13-7-6(9)3-11-4-12-7/h3-5H,9H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyQZSYKZZIOHBFQE-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.39
Rot. Bonds3

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

2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 79918137) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID79918137
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ncncc1N
InChIInChI=1S/C8H13N5O/c1-5(8(14)10-2)13-7-6(9)3-11-4-12-7/h3-5H,9H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyQZSYKZZIOHBFQE-UHFFFAOYSA-N
XLogP-0.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide (CID 79918137) is 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1ncncc1N.
What is the InChIKey of 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is QZSYKZZIOHBFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5(8(14)10-2)13-7-6(9)3-11-4-12-7/h3-5H,9H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 195.23 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 79918137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).