4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C13H13ClF2N4O — CID 83072877

IUPAC4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2c(F)cc(F)cc2Cl)c1N
InChIInChI=1S/C13H13ClF2N4O/c1-6(2)21-13-10(17)12(18-5-19-13)20-11-8(14)3-7(15)4-9(11)16/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyQJVMDIYKXCZHSW-UHFFFAOYSA-N
MW314.72 g/mol
LogP3.52
Rot. Bonds4

About 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 83072877) has the molecular formula C13H13ClF2N4O and a molecular weight of 314.72 g/mol. Its IUPAC name is 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID83072877
Molecular FormulaC13H13ClF2N4O
Molecular Weight314.72 g/mol
Exact Mass314.07
IUPAC Name4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCC(C)Oc1ncnc(Nc2c(F)cc(F)cc2Cl)c1N
InChIInChI=1S/C13H13ClF2N4O/c1-6(2)21-13-10(17)12(18-5-19-13)20-11-8(14)3-7(15)4-9(11)16/h3-6H,17H2,1-2H3,(H,18,19,20)
InChIKeyQJVMDIYKXCZHSW-UHFFFAOYSA-N
XLogP3.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(2,6-dichloro-4-fluorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 83078014
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
4-N-(2,5-dichlorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19146760
4-N-(4-chloro-2-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 22546490
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 83082645
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104775547
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104722386
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255
N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 83083447
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 83072877) is 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is CC(C)Oc1ncnc(Nc2c(F)cc(F)cc2Cl)c1N.
What is the InChIKey of 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is QJVMDIYKXCZHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4O/c1-6(2)21-13-10(17)12(18-5-19-13)20-11-8(14)3-7(15)4-9(11)16/h3-6H,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 314.72 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 83072877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).