N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine

C14H16FN3 — CID 80936579

IUPACN,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(F)c2)nc(CC)n1
InChIInChI=1S/C14H16FN3/c1-3-13-17-12(9-14(18-13)16-4-2)10-6-5-7-11(15)8-10/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyPBKLOCKTRASTJC-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.28
Rot. Bonds4

About N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine

N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine (PubChem CID 80936579) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
PubChem CID80936579
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cccc(F)c2)nc(CC)n1
InChIInChI=1S/C14H16FN3/c1-3-13-17-12(9-14(18-13)16-4-2)10-6-5-7-11(15)8-10/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyPBKLOCKTRASTJC-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
CID 78990312
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
N,2-diethyl-6-quinolin-3-ylpyrimidin-4-amine
CID 80938836
N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80936235
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
6-(3-fluorophenyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716586
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069
2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80936313

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine (CID 80936579) is N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine is CCNc1cc(-c2cccc(F)c2)nc(CC)n1.
What is the InChIKey of N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine?
The InChIKey is PBKLOCKTRASTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-13-17-12(9-14(18-13)16-4-2)10-6-5-7-11(15)8-10/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine?
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 80936579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).