N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine

C13H14FN3O — CID 116977086

IUPACN-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
SMILESCCNc1ncc(-c2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C13H14FN3O/c1-3-15-13-16-7-10(8-17-13)9-4-5-12(18-2)11(14)6-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyDJMBVDTYUGADDL-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.72
Rot. Bonds4

About N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine

N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 116977086) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
PubChem CID116977086
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
SMILESCCNc1ncc(-c2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C13H14FN3O/c1-3-15-13-16-7-10(8-17-13)9-4-5-12(18-2)11(14)6-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyDJMBVDTYUGADDL-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
5-ethyl-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 59643126
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)-5-iodopyrimidin-4-amine
CID 66297351
5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 163343919
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096408
2-(3-fluoro-4-methoxyphenyl)-5-propylpyridine
CID 21286189
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80767862
N-ethyl-2-[5-(3-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine (CID 116977086) is N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine is CCNc1ncc(-c2ccc(OC)c(F)c2)cn1.
What is the InChIKey of N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is DJMBVDTYUGADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-15-13-16-7-10(8-17-13)9-4-5-12(18-2)11(14)6-9/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine?
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 116977086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).