3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide

C8H13N5O — CID 80819831

IUPAC3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(N)ncn1
InChIInChI=1S/C8H13N5O/c1-10-8(14)2-3-11-7-4-6(9)12-5-13-7/h4-5H,2-3H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyXUQOEBPBZNIMQL-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.39
Rot. Bonds4

About 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide

3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80819831) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80819831
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(N)ncn1
InChIInChI=1S/C8H13N5O/c1-10-8(14)2-3-11-7-4-6(9)12-5-13-7/h4-5H,2-3H2,1H3,(H,10,14)(H3,9,11,12,13)
InChIKeyXUQOEBPBZNIMQL-UHFFFAOYSA-N
XLogP-0.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide (CID 80819831) is 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1cc(N)ncn1.
What is the InChIKey of 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is XUQOEBPBZNIMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-10-8(14)2-3-11-7-4-6(9)12-5-13-7/h4-5H,2-3H2,1H3,(H,10,14)(H3,9,11,12,13).
What are the key properties of 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide?
3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 195.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminopyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80819831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).