6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine

C14H15F2N3O — CID 133418376

IUPAC6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(OC)c(F)c2)c1F
InChIInChI=1S/C14H15F2N3O/c1-3-11-13(16)14(19-8-18-11)17-7-9-4-5-12(20-2)10(15)6-9/h4-6,8H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyPLMBUQLXKXWSGJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.94
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 133418376) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID133418376
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(OC)c(F)c2)c1F
InChIInChI=1S/C14H15F2N3O/c1-3-11-13(16)14(19-8-18-11)17-7-9-4-5-12(20-2)10(15)6-9/h4-6,8H,3,7H2,1-2H3,(H,17,18,19)
InChIKeyPLMBUQLXKXWSGJ-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 103867430
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43090343
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 133418607
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133432283
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732
6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine
CID 133419789
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine
CID 55854206

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 133418376) is 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine is CCc1ncnc(NCc2ccc(OC)c(F)c2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is PLMBUQLXKXWSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-11-13(16)14(19-8-18-11)17-7-9-4-5-12(20-2)10(15)6-9/h4-6,8H,3,7H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133418376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).