N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C9H14FN3O — CID 62406391

IUPACN-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(COC)nc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-4-11-9-8(10)6(2)12-7(13-9)5-14-3/h4-5H2,1-3H3,(H,11,12,13)
InChIKeySRCMGAVJXREZKI-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.50
Rot. Bonds4

About N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 62406391) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID62406391
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC NameN-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCCNc1nc(COC)nc(C)c1F
InChIInChI=1S/C9H14FN3O/c1-4-11-9-8(10)6(2)12-7(13-9)5-14-3/h4-5H2,1-3H3,(H,11,12,13)
InChIKeySRCMGAVJXREZKI-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 62406391) is N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine is CCNc1nc(COC)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is SRCMGAVJXREZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-4-11-9-8(10)6(2)12-7(13-9)5-14-3/h4-5H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 199.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62406391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).