6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

C19H17F3N4 — CID 112916470

IUPAC6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H17F3N4/c1-11-3-5-13(6-4-11)10-23-16-9-12(2)24-19(26-16)25-15-8-7-14(20)17(21)18(15)22/h3-9H,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyTXQQDQAHRCAZOO-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.87
Rot. Bonds5

About 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112916470) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID112916470
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H17F3N4/c1-11-3-5-13(6-4-11)10-23-16-9-12(2)24-19(26-16)25-15-8-7-14(20)17(21)18(15)22/h3-9H,10H2,1-2H3,(H2,23,24,25,26)
InChIKeyTXQQDQAHRCAZOO-UHFFFAOYSA-N
XLogP4.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916415
4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112918052
4-N-(4-ethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928709
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928010
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112928110
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401
4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916596
4-N-(3,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916608
6-N-[(4-fluorophenyl)methyl]-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112872572
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
2-N-(2-chlorophenyl)-4-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918017

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (CID 112916470) is 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is Cc1ccc(CNc2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)cc1.
What is the InChIKey of 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is TXQQDQAHRCAZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c1-11-3-5-13(6-4-11)10-23-16-9-12(2)24-19(26-16)25-15-8-7-14(20)17(21)18(15)22/h3-9H,10H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 358.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112916470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).