2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide

C9H15N5O — CID 80788095

IUPAC2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N)c(C)c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H15N5O/c1-4-7(10)13-6(3)14-9(4)12-5(2)8(11)15/h5H,1-3H3,(H2,11,15)(H3,10,12,13,14)
InChIKeyDKEFLDKKKOUJSO-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide (PubChem CID 80788095) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
PubChem CID80788095
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N)c(C)c(NC(C)C(N)=O)n1
InChIInChI=1S/C9H15N5O/c1-4-7(10)13-6(3)14-9(4)12-5(2)8(11)15/h5H,1-3H3,(H2,11,15)(H3,10,12,13,14)
InChIKeyDKEFLDKKKOUJSO-UHFFFAOYSA-N
XLogP-0.04
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide (CID 80788095) is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide is Cc1nc(N)c(C)c(NC(C)C(N)=O)n1.
What is the InChIKey of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide?
The InChIKey is DKEFLDKKKOUJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-4-7(10)13-6(3)14-9(4)12-5(2)8(11)15/h5H,1-3H3,(H2,11,15)(H3,10,12,13,14).
What are the key properties of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide?
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide has a molecular weight of 209.25 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 80788095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).