4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine

C20H21FN4O — CID 112935315

IUPAC4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOCCCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H21FN4O/c1-26-13-5-12-22-20-24-18(15-6-3-2-4-7-15)14-19(25-20)23-17-10-8-16(21)9-11-17/h2-4,6-11,14H,5,12-13H2,1H3,(H2,22,23,24,25)
InChIKeyFHPZZVBEDBWCIL-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.47
Rot. Bonds8

About 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine

4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112935315) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112935315
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOCCCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H21FN4O/c1-26-13-5-12-22-20-24-18(15-6-3-2-4-7-15)14-19(25-20)23-17-10-8-16(21)9-11-17/h2-4,6-11,14H,5,12-13H2,1H3,(H2,22,23,24,25)
InChIKeyFHPZZVBEDBWCIL-UHFFFAOYSA-N
XLogP4.47
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.47
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-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935080
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935316
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
4-N-(3-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935319
4-(difluoromethyl)-6-(4-fluorophenyl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 44821612
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112937018
methyl 4-[[2-(pentylamino)-6-phenylpyrimidin-4-yl]amino]benzoate
CID 112937969
2-N-(3-chlorophenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935202

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine (CID 112935315) is 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine is COCCCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is FHPZZVBEDBWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-26-13-5-12-22-20-24-18(15-6-3-2-4-7-15)14-19(25-20)23-17-10-8-16(21)9-11-17/h2-4,6-11,14H,5,12-13H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine?
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 352.41 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112935315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).