4-N-(1-phenylpropyl)pyrimidine-4,5-diamine

C13H16N4 — CID 79916019

IUPAC4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
SMILESCCC(Nc1ncncc1N)c1ccccc1
InChIInChI=1S/C13H16N4/c1-2-12(10-6-4-3-5-7-10)17-13-11(14)8-15-9-16-13/h3-9,12H,2,14H2,1H3,(H,15,16,17)
InChIKeyOCYHUNLXJWAVMY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.62
Rot. Bonds4

About 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine

4-N-(1-phenylpropyl)pyrimidine-4,5-diamine (PubChem CID 79916019) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
PubChem CID79916019
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
SMILESCCC(Nc1ncncc1N)c1ccccc1
InChIInChI=1S/C13H16N4/c1-2-12(10-6-4-3-5-7-10)17-13-11(14)8-15-9-16-13/h3-9,12H,2,14H2,1H3,(H,15,16,17)
InChIKeyOCYHUNLXJWAVMY-UHFFFAOYSA-N
XLogP2.62
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
2-N-(1-pyridin-4-ylpropyl)pyridine-2,3-diamine
CID 42609065
6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80821688
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
5-amino-6-(1-phenylpropylamino)pyridine-2-carboxamide
CID 114406353

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine (CID 79916019) is 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine is CCC(Nc1ncncc1N)c1ccccc1.
What is the InChIKey of 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
The InChIKey is OCYHUNLXJWAVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-12(10-6-4-3-5-7-10)17-13-11(14)8-15-9-16-13/h3-9,12H,2,14H2,1H3,(H,15,16,17).
What are the key properties of 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine?
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79916019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).