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

C13H15N5O — CID 112559814

IUPAC2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1cc(N)nc(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C13H15N5O/c1-8(12(15)19)16-11-7-10(14)17-13(18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,15,19)(H3,14,16,17,18)
InChIKeyXKOFNUCIZVMYFL-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.01
Rot. Bonds4

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

2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide (PubChem CID 112559814) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
PubChem CID112559814
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
SMILESCC(Nc1cc(N)nc(-c2ccccc2)n1)C(N)=O
InChIInChI=1S/C13H15N5O/c1-8(12(15)19)16-11-7-10(14)17-13(18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,15,19)(H3,14,16,17,18)
InChIKeyXKOFNUCIZVMYFL-UHFFFAOYSA-N
XLogP1.01
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.01
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-phenylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide (CID 112559814) is 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide is CC(Nc1cc(N)nc(-c2ccccc2)n1)C(N)=O.
What is the InChIKey of 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide?
The InChIKey is XKOFNUCIZVMYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8(12(15)19)16-11-7-10(14)17-13(18-11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,15,19)(H3,14,16,17,18).
What are the key properties of 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide?
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide has a molecular weight of 257.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 112559814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).