6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine

C15H17ClFN3O — CID 167801224

IUPAC6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCCC(C)Oc1cc(Nc2ccc(F)c(Cl)c2)nc(C)n1
InChIInChI=1S/C15H17ClFN3O/c1-4-9(2)21-15-8-14(18-10(3)19-15)20-11-5-6-13(17)12(16)7-11/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyFSYNSONAGPSWDO-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.50
Rot. Bonds5

About 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine

6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine (PubChem CID 167801224) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine
PubChem CID167801224
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCCC(C)Oc1cc(Nc2ccc(F)c(Cl)c2)nc(C)n1
InChIInChI=1S/C15H17ClFN3O/c1-4-9(2)21-15-8-14(18-10(3)19-15)20-11-5-6-13(17)12(16)7-11/h5-9H,4H2,1-3H3,(H,18,19,20)
InChIKeyFSYNSONAGPSWDO-UHFFFAOYSA-N
XLogP4.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine 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-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876167
6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
CID 80866444
6-N-(3-chloro-4-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876661
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873963
methyl 3-[[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878168
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874149
N-(3-chloro-4-fluorophenyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112636601
4-N-(3-chloro-4-fluorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924247
4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872245

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine (CID 167801224) is 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine is CCC(C)Oc1cc(Nc2ccc(F)c(Cl)c2)nc(C)n1.
What is the InChIKey of 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is FSYNSONAGPSWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-4-9(2)21-15-8-14(18-10(3)19-15)20-11-5-6-13(17)12(16)7-11/h5-9H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine?
6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 309.77 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 167801224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).