2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine

C20H20F2N4 — CID 112924398

IUPAC2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCCc2ccccc2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H20F2N4/c1-14-12-19(23-11-5-8-15-6-3-2-4-7-15)26-20(24-14)25-16-9-10-17(21)18(22)13-16/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,23,24,25,26)
InChIKeyGLQVEUPRDGPDBA-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.85
Rot. Bonds7

About 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine

2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112924398) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112924398
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCCc2ccccc2)nc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H20F2N4/c1-14-12-19(23-11-5-8-15-6-3-2-4-7-15)26-20(24-14)25-16-9-10-17(21)18(22)13-16/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,23,24,25,26)
InChIKeyGLQVEUPRDGPDBA-UHFFFAOYSA-N
XLogP4.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.85
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

2-N-(3-chloro-4-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920099
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
2-N-(3,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911503
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
2-N-(3,4-difluorophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919248
6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924421
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112924398) is 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is Cc1cc(NCCCc2ccccc2)nc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is GLQVEUPRDGPDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c1-14-12-19(23-11-5-8-15-6-3-2-4-7-15)26-20(24-14)25-16-9-10-17(21)18(22)13-16/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,23,24,25,26).
What are the key properties of 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 354.40 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).