6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine

C7H10FN3O — CID 115416403

IUPAC6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(F)ncn1
InChIInChI=1S/C7H10FN3O/c1-12-3-2-9-7-4-6(8)10-5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyAALZEWSKCRJZID-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.67
Rot. Bonds4

About 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine

6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 115416403) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID115416403
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC Name6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(F)ncn1
InChIInChI=1S/C7H10FN3O/c1-12-3-2-9-7-4-6(8)10-5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyAALZEWSKCRJZID-UHFFFAOYSA-N
XLogP0.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-Chloro-4-pyrimidinyl)amino]ethanol
CID 1840857
2-Propoxypyrimidin-4-amine
CID 308515
1-Ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea
CID 134149319
2-(Methoxymethyl)pyrimidin-4-amine
CID 53407629
N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
CID 80767642
2-fluoro-N-propylpyrimidin-4-amine
CID 339393
2-[(2-Amino-6-fluoropyrimidin-4-yl)amino]ethanol
CID 3776070
2-[(2-Chloropyrimidin-4-yl)amino]ethanol
CID 4737628
6-Chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 29919576
4-Fluoro-6-morpholin-4-ylpyrimidin-2-amine
CID 676530
4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 126829731
2-(5-Fluoropyrimidin-2-yl)-2-methoxyethanamine
CID 68849666

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine (CID 115416403) is 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is AALZEWSKCRJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-12-3-2-9-7-4-6(8)10-5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine?
6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 171.18 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 115416403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).