6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine

C14H16FN3O — CID 66325604

IUPAC6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccccc2F)c1C
InChIInChI=1S/C14H16FN3O/c1-3-19-14-10(2)13(17-9-18-14)16-8-11-6-4-5-7-12(11)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyBBIUEROEQKILTB-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.93
Rot. Bonds5

About 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine

6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 66325604) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
PubChem CID66325604
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccccc2F)c1C
InChIInChI=1S/C14H16FN3O/c1-3-19-14-10(2)13(17-9-18-14)16-8-11-6-4-5-7-12(11)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyBBIUEROEQKILTB-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455299
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861
6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 66326429
6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114128058
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 79106161

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine (CID 66325604) is 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine is CCOc1ncnc(NCc2ccccc2F)c1C.
What is the InChIKey of 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is BBIUEROEQKILTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-19-14-10(2)13(17-9-18-14)16-8-11-6-4-5-7-12(11)15/h4-7,9H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine?
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66325604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).