6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine

C15H20N4 — CID 80790674

IUPAC6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCCc2ccccc2)c1C
InChIInChI=1S/C15H20N4/c1-12-14(16-2)18-11-19-15(12)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyRJSXRCNMLCAHGZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.87
Rot. Bonds6

About 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 80790674) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID80790674
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCCc2ccccc2)c1C
InChIInChI=1S/C15H20N4/c1-12-14(16-2)18-11-19-15(12)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyRJSXRCNMLCAHGZ-UHFFFAOYSA-N
XLogP2.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.87
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

6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
CID 80872107
4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
4-(3-phenylpropylamino)quinazolin-7-ol
CID 137026727
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine (CID 80790674) is 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine is CNc1ncnc(NCCCc2ccccc2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is RJSXRCNMLCAHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-14(16-2)18-11-19-15(12)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80790674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).