1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine

C13H16N4 — CID 80506681

IUPAC1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESNC(CCNc1ncccn1)c1ccccc1
InChIInChI=1S/C13H16N4/c14-12(11-5-2-1-3-6-11)7-10-17-13-15-8-4-9-16-13/h1-6,8-9,12H,7,10,14H2,(H,15,16,17)
InChIKeyRAHHOKFQWGZQBE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.98
Rot. Bonds5

About 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine

1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 80506681) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID80506681
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESNC(CCNc1ncccn1)c1ccccc1
InChIInChI=1S/C13H16N4/c14-12(11-5-2-1-3-6-11)7-10-17-13-15-8-4-9-16-13/h1-6,8-9,12H,7,10,14H2,(H,15,16,17)
InChIKeyRAHHOKFQWGZQBE-UHFFFAOYSA-N
XLogP1.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 63120833
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
N'-(1-ethylimidazol-2-yl)-1-phenylpropane-1,3-diamine
CID 80507516
N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine
CID 80507400
N-(3,3-difluoropropyl)pyrimidin-2-amine
CID 131114276
2-[(3-amino-3-phenylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061358
1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
CID 80505450
1-phenyl-2-pyrimidin-2-ylethanamine
CID 63196621
N'-(2-methylsulfonylphenyl)-1-phenylpropane-1,3-diamine
CID 80505453
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 80506681) is 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine is NC(CCNc1ncccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is RAHHOKFQWGZQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-12(11-5-2-1-3-6-11)7-10-17-13-15-8-4-9-16-13/h1-6,8-9,12H,7,10,14H2,(H,15,16,17).
What are the key properties of 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 80506681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).