5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

C16H15ClF2N6 — CID 71240951

IUPAC5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(Nc2cnn(C)c2)ncc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C16H15ClF2N6/c1-9(12-5-10(18)3-4-14(12)19)22-15-13(17)7-20-16(24-15)23-11-6-21-25(2)8-11/h3-9H,1-2H3,(H2,20,22,23,24)
InChIKeyQLVVJXKAHVMDNY-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.06
Rot. Bonds5

About 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine

5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 71240951) has the molecular formula C16H15ClF2N6 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID71240951
Molecular FormulaC16H15ClF2N6
Molecular Weight364.79 g/mol
Exact Mass364.10
IUPAC Name5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(Nc2cnn(C)c2)ncc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C16H15ClF2N6/c1-9(12-5-10(18)3-4-14(12)19)22-15-13(17)7-20-16(24-15)23-11-6-21-25(2)8-11/h3-9H,1-2H3,(H2,20,22,23,24)
InChIKeyQLVVJXKAHVMDNY-UHFFFAOYSA-N
XLogP4.06
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 71240951) is 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is CC(Nc1nc(Nc2cnn(C)c2)ncc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is QLVVJXKAHVMDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N6/c1-9(12-5-10(18)3-4-14(12)19)22-15-13(17)7-20-16(24-15)23-11-6-21-25(2)8-11/h3-9H,1-2H3,(H2,20,22,23,24).
What are the key properties of 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine?
5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 364.79 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(2,5-difluorophenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71240951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).