4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C19H17ClF2N4 — CID 112873963

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2F)cc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H17ClF2N4/c1-12-24-18(23-9-8-13-4-2-3-5-16(13)21)11-19(25-12)26-14-6-7-17(22)15(20)10-14/h2-7,10-11H,8-9H2,1H3,(H2,23,24,25,26)
InChIKeyOVKIEGBPFZWUNU-UHFFFAOYSA-N
MW374.82 g/mol
LogP5.11
Rot. Bonds6

About 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112873963) has the molecular formula C19H17ClF2N4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112873963
Molecular FormulaC19H17ClF2N4
Molecular Weight374.82 g/mol
Exact Mass374.11
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCc2ccccc2F)cc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H17ClF2N4/c1-12-24-18(23-9-8-13-4-2-3-5-16(13)21)11-19(25-12)26-14-6-7-17(22)15(20)10-14/h2-7,10-11H,8-9H2,1H3,(H2,23,24,25,26)
InChIKeyOVKIEGBPFZWUNU-UHFFFAOYSA-N
XLogP5.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874149
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876167
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894617
4-N-(4-chlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920686
4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873954
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822
6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870537
4-N-(3,4-difluorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874867
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
2-N-(3-chloro-4-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920099
6-(3-chloro-4-fluoroanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373594

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 112873963) is 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCc2ccccc2F)cc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is OVKIEGBPFZWUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4/c1-12-24-18(23-9-8-13-4-2-3-5-16(13)21)11-19(25-12)26-14-6-7-17(22)15(20)10-14/h2-7,10-11H,8-9H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 374.82 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112873963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).