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

C20H22N4O — CID 112899390

IUPAC4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-25-18-12-6-5-11-17(18)23-19-13-15-22-20(24-19)21-14-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-13,15H,7,10,14H2,1H3,(H2,21,22,23,24)
InChIKeyDQLHOFZHTSNVGM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.27
Rot. Bonds8

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

4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112899390) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112899390
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1Nc1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-25-18-12-6-5-11-17(18)23-19-13-15-22-20(24-19)21-14-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-13,15H,7,10,14H2,1H3,(H2,21,22,23,24)
InChIKeyDQLHOFZHTSNVGM-UHFFFAOYSA-N
XLogP4.27
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
2-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112883088
4-N-(2-methoxyphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895300
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901460
ethyl 2-[[2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112899432
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112899437
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311065
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112899390) is 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is COc1ccccc1Nc1ccnc(NCCCc2ccccc2)n1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is DQLHOFZHTSNVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-18-12-6-5-11-17(18)23-19-13-15-22-20(24-19)21-14-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-13,15H,7,10,14H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).