6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H19ClFN3 — CID 80974811

IUPAC6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C16H19ClFN3/c1-5-19-16-10(4)14(20-15(21-16)9(2)3)12-7-6-11(17)8-13(12)18/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyJFDULKQWVXFNFN-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.80
Rot. Bonds4

About 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80974811) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80974811
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C16H19ClFN3/c1-5-19-16-10(4)14(20-15(21-16)9(2)3)12-7-6-11(17)8-13(12)18/h6-9H,5H2,1-4H3,(H,19,20,21)
InChIKeyJFDULKQWVXFNFN-UHFFFAOYSA-N
XLogP4.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975357
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80976748
N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995868
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
CID 102753661
5-methyl-6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80975870
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80974811) is 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(-c2ccc(Cl)cc2F)c1C.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is JFDULKQWVXFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-5-19-16-10(4)14(20-15(21-16)9(2)3)12-7-6-11(17)8-13(12)18/h6-9H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 307.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80974811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).