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

C19H19ClN4 — CID 112899378

IUPAC4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c20-16-10-4-5-11-17(16)23-18-12-14-22-19(24-18)21-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-12,14H,6,9,13H2,(H2,21,22,23,24)
InChIKeyGNEHEQHFLDRZMH-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.92
Rot. Bonds7

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

4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112899378) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112899378
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c20-16-10-4-5-11-17(16)23-18-12-14-22-19(24-18)21-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-12,14H,6,9,13H2,(H2,21,22,23,24)
InChIKeyGNEHEQHFLDRZMH-UHFFFAOYSA-N
XLogP4.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.92
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-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899390
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112899437
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
ethyl 2-[[2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112899432
2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112894149
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112899378) is 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Clc1ccccc1Nc1ccnc(NCCCc2ccccc2)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is GNEHEQHFLDRZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-16-10-4-5-11-17(16)23-18-12-14-22-19(24-18)21-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-12,14H,6,9,13H2,(H2,21,22,23,24).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).