6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C15H18FN3 — CID 80975357

IUPAC6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2ccccc2F)c1C
InChIInChI=1S/C15H18FN3/c1-9(2)14-18-13(10(3)15(17-4)19-14)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,18,19)
InChIKeyBINFBYBPKIDDNP-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.76
Rot. Bonds3

About 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80975357) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80975357
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(-c2ccccc2F)c1C
InChIInChI=1S/C15H18FN3/c1-9(2)14-18-13(10(3)15(17-4)19-14)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,18,19)
InChIKeyBINFBYBPKIDDNP-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975407
6-(1-benzothiophen-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 81128376
N,5-dimethyl-6-(2-methylthiophen-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 102838545
6-(4-chloro-2-fluorophenyl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974811
6-(2,3-difluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977226
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976899
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
2-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
6-ethyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 63560963
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976810
N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine
CID 115503288

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80975357) is 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(-c2ccccc2F)c1C.
What is the InChIKey of 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is BINFBYBPKIDDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-9(2)14-18-13(10(3)15(17-4)19-14)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80975357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).