4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C20H22N4 — CID 112899361

IUPAC4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4/c1-16-9-11-18(12-10-16)23-19-13-15-22-20(24-19)21-14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-13,15H,5,8,14H2,1H3,(H2,21,22,23,24)
InChIKeyVOTGUXZCDDPLNT-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.57
Rot. Bonds7

About 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine

4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112899361) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112899361
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4/c1-16-9-11-18(12-10-16)23-19-13-15-22-20(24-19)21-14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-13,15H,5,8,14H2,1H3,(H2,21,22,23,24)
InChIKeyVOTGUXZCDDPLNT-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.57
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

4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388
ethyl 4-[[2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112899426
2-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112894129
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899390
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112899437
4-N-(3-phenylpropyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899309
2-N-butyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112883119
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112899361) is 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is VOTGUXZCDDPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-16-9-11-18(12-10-16)23-19-13-15-22-20(24-19)21-14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-13,15H,5,8,14H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).