N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine

C16H16FN3O — CID 114734804

IUPACN,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc3cc(F)ccc3o2)c1CC
InChIInChI=1S/C16H16FN3O/c1-3-12-15(19-9-20-16(12)18-4-2)14-8-10-7-11(17)5-6-13(10)21-14/h5-9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMHKUGJJINVYACB-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.02
Rot. Bonds4

About N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine

N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734804) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734804
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cc3cc(F)ccc3o2)c1CC
InChIInChI=1S/C16H16FN3O/c1-3-12-15(19-9-20-16(12)18-4-2)14-8-10-7-11(17)5-6-13(10)21-14/h5-9H,3-4H2,1-2H3,(H,18,19,20)
InChIKeyMHKUGJJINVYACB-UHFFFAOYSA-N
XLogP4.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734574
6-(2-chloro-5-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 105396085
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770193
4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
CID 114734240
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734119
6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
CID 114879384
N-ethyl-5-methyl-6-(7-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734672
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 114734829
6-(1-benzofuran-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102754018

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734804) is N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine is CCNc1ncnc(-c2cc3cc(F)ccc3o2)c1CC.
What is the InChIKey of N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is MHKUGJJINVYACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-12-15(19-9-20-16(12)18-4-2)14-8-10-7-11(17)5-6-13(10)21-14/h5-9H,3-4H2,1-2H3,(H,18,19,20).
What are the key properties of N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine?
N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 285.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).