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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Related Compounds

5-bromo-N-ethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79089179
6-ethyl-5-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79089266
N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657564
N-[[4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79088552
5,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088525
5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 79096555
4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79089338
5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79096567
2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
CID 79077180
6-methyl-2-(4-methylmorpholin-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 79088985
4-methyl-6-(4-methylmorpholin-2-yl)-1,3,5-triazin-2-amine
CID 79085098
N-ethyl-4-(4-methylmorpholin-2-yl)aniline
CID 70934947

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).