2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide

C8H13N5O — CID 80788207

IUPAC2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N)cc(NC(C)C(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-4(8(10)14)11-7-3-6(9)12-5(2)13-7/h3-4H,1-2H3,(H2,10,14)(H3,9,11,12,13)
InChIKeyHPHGUVRVVNZAIB-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.35
Rot. Bonds3

About 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide

2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 80788207) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
PubChem CID80788207
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N)cc(NC(C)C(N)=O)n1
InChIInChI=1S/C8H13N5O/c1-4(8(10)14)11-7-3-6(9)12-5(2)13-7/h3-4H,1-2H3,(H2,10,14)(H3,9,11,12,13)
InChIKeyHPHGUVRVVNZAIB-UHFFFAOYSA-N
XLogP-0.35
TPSA106.92 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 ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide (CID 80788207) is 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide is Cc1nc(N)cc(NC(C)C(N)=O)n1.
What is the InChIKey of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is HPHGUVRVVNZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-4(8(10)14)11-7-3-6(9)12-5(2)13-7/h3-4H,1-2H3,(H2,10,14)(H3,9,11,12,13).
What are the key properties of 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide?
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 195.23 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 80788207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).