N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine

C7H10FN3O — CID 130637561

IUPACN-ethoxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCON(C)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3O/c1-3-12-11(2)7-9-4-6(8)5-10-7/h4-5H,3H2,1-2H3
InChIKeyXWMUQHPQYZZAKO-UHFFFAOYSA-N
MW171.18 g/mol
LogP1.00
Rot. Bonds3

About N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine

N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 130637561) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethoxy-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID130637561
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC NameN-ethoxy-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCON(C)c1ncc(F)cn1
InChIInChI=1S/C7H10FN3O/c1-3-12-11(2)7-9-4-6(8)5-10-7/h4-5H,3H2,1-2H3
InChIKeyXWMUQHPQYZZAKO-UHFFFAOYSA-N
XLogP1.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 104606760
4-[(5-fluoropyrimidin-2-yl)-methylamino]benzonitrile
CID 104606073
3-[(5-fluoropyrimidin-2-yl)-methylamino]butanenitrile
CID 115750231
ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
CID 104606558
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
N'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 104606129
5-bromo-N-ethoxy-N-methylpyrimidin-4-amine
CID 131159567
3-[(5-fluoropyrimidin-2-yl)-methylamino]-2-methylpropanenitrile
CID 115749937
2-N-ethoxy-2-N,4-dimethylpyridine-2,5-diamine
CID 131097140
N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 104606790
N,N'-diethyl-N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 104606633
5-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine (CID 130637561) is N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine is CCON(C)c1ncc(F)cn1.
What is the InChIKey of N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is XWMUQHPQYZZAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-3-12-11(2)7-9-4-6(8)5-10-7/h4-5H,3H2,1-2H3.
What are the key properties of N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine?
N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 171.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 130637561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).