N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine

C12H19FN4O — CID 79088256

IUPACN-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CN(C)CCO2)nc(C)c1F
InChIInChI=1S/C12H19FN4O/c1-4-14-12-10(13)8(2)15-11(16-12)9-7-17(3)5-6-18-9/h9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBPQMVZHCPAKYOH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.36
Rot. Bonds3

About N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine

N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine (PubChem CID 79088256) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
PubChem CID79088256
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CN(C)CCO2)nc(C)c1F
InChIInChI=1S/C12H19FN4O/c1-4-14-12-10(13)8(2)15-11(16-12)9-7-17(3)5-6-18-9/h9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBPQMVZHCPAKYOH-UHFFFAOYSA-N
XLogP1.36
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine (CID 79088256) is N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine is CCNc1nc(C2CN(C)CCO2)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
The InChIKey is BPQMVZHCPAKYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-4-14-12-10(13)8(2)15-11(16-12)9-7-17(3)5-6-18-9/h9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine?
N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine has a molecular weight of 254.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79088256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).