6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine

C15H17ClFN3 — CID 80954051

IUPAC6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C15H17ClFN3/c1-10(2)15-19-13(16)9-14(20-15)18-8-7-11-5-3-4-6-12(11)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeySGEVHAWZKIQION-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.05
Rot. Bonds5

About 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80954051) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80954051
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C15H17ClFN3/c1-10(2)15-19-13(16)9-14(20-15)18-8-7-11-5-3-4-6-12(11)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeySGEVHAWZKIQION-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 80936245
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216
4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908693
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873963
2-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908501
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 80954051) is 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(NCCc2ccccc2F)n1.
What is the InChIKey of 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is SGEVHAWZKIQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-10(2)15-19-13(16)9-14(20-15)18-8-7-11-5-3-4-6-12(11)17/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80954051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).