4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine

C17H13ClF2N4 — CID 112891749

IUPAC4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(NCc3ccccc3Cl)n2)c(F)c1
InChIInChI=1S/C17H13ClF2N4/c18-13-4-2-1-3-11(13)10-22-16-7-8-21-17(24-16)23-15-6-5-12(19)9-14(15)20/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyWAXLNHIGGMAOAI-UHFFFAOYSA-N
MW346.77 g/mol
LogP4.76
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine

4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112891749) has the molecular formula C17H13ClF2N4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID112891749
Molecular FormulaC17H13ClF2N4
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2nccc(NCc3ccccc3Cl)n2)c(F)c1
InChIInChI=1S/C17H13ClF2N4/c18-13-4-2-1-3-11(13)10-22-16-7-8-21-17(24-16)23-15-6-5-12(19)9-14(15)20/h1-9H,10H2,(H2,21,22,23,24)
InChIKeyWAXLNHIGGMAOAI-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-difluorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894993
4-N-[(2-chlorophenyl)methyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112891701
4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906554
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
4-N-tert-butyl-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112899771
4-N-(4-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891825
2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891673
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
2-N-(2,4-difluorophenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886150
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine (CID 112891749) is 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2nccc(NCc3ccccc3Cl)n2)c(F)c1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WAXLNHIGGMAOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4/c18-13-4-2-1-3-11(13)10-22-16-7-8-21-17(24-16)23-15-6-5-12(19)9-14(15)20/h1-9H,10H2,(H2,21,22,23,24).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 346.77 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112891749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).