4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine

C16H22N4 — CID 112882168

IUPAC4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nccc(NCCCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13(2)19-16-18-12-10-15(20-16)17-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyGRRZGOMVBQNILJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.34
Rot. Bonds7

About 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine

4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112882168) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112882168
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nccc(NCCCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-13(2)19-16-18-12-10-15(20-16)17-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H2,17,18,19,20)
InChIKeyGRRZGOMVBQNILJ-UHFFFAOYSA-N
XLogP3.34
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
2-N-(3-bromophenyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899325
4-N-(3-phenylpropyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899309
3-N-(1-phenylethyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112949082
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
2-(azepan-1-yl)-N-(3-phenylpropyl)pyrimidin-4-amine
CID 112899263
4-N-(3-phenylpropyl)-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899308
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112882168) is 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1nccc(NCCCc2ccccc2)n1.
What is the InChIKey of 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is GRRZGOMVBQNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(2)19-16-18-12-10-15(20-16)17-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-phenylpropyl)-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112882168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).