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

C19H18F2N4 — CID 112873789

IUPAC4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2)cc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C19H18F2N4/c1-13-23-18(22-10-9-14-5-3-2-4-6-14)12-19(24-13)25-17-8-7-15(20)11-16(17)21/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,25)
InChIKeyBKCRAJFYZBNNKU-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.46
Rot. Bonds6

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

4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112873789) has the molecular formula C19H18F2N4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112873789
Molecular FormulaC19H18F2N4
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2)cc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C19H18F2N4/c1-13-23-18(22-10-9-14-5-3-2-4-6-14)12-19(24-13)25-17-8-7-15(20)11-16(17)21/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,25)
InChIKeyBKCRAJFYZBNNKU-UHFFFAOYSA-N
XLogP4.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112874066
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
4-N-(2,4-difluorophenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871462
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873778
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371993
4-N-(2-fluorophenyl)-6-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872510
4-N-(2,4-difluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875018
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (CID 112873789) is 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is Cc1nc(NCCc2ccccc2)cc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is BKCRAJFYZBNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4/c1-13-23-18(22-10-9-14-5-3-2-4-6-14)12-19(24-13)25-17-8-7-15(20)11-16(17)21/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 340.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-2-methyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).