6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine

C12H13FN4O — CID 86797824

IUPAC6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2ncccc2F)ncn1
InChIInChI=1S/C12H13FN4O/c1-2-18-12-6-11(16-8-17-12)15-7-10-9(13)4-3-5-14-10/h3-6,8H,2,7H2,1H3,(H,15,16,17)
InChIKeyFOPHYFZKYRWNGA-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.02
Rot. Bonds5

About 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine

6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 86797824) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID86797824
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCc2ncccc2F)ncn1
InChIInChI=1S/C12H13FN4O/c1-2-18-12-6-11(16-8-17-12)15-7-10-9(13)4-3-5-14-10/h3-6,8H,2,7H2,1H3,(H,15,16,17)
InChIKeyFOPHYFZKYRWNGA-UHFFFAOYSA-N
XLogP2.02
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((3S,4S)-4-fluoropiperidin-3-yl)-4-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 167450061
4,6-Dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinamine
CID 138755794
Propan-2-yl 4-[5-methyl-6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57397673
6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine
CID 162658779
N-methyl-4-phenoxy-6-pyridin-2-ylpyrimidin-2-amine
CID 168292047
Methyl 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl ether
CID 1475334
N-(6-(4-(allyloxy)-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-yl)-2-chloroacetamide
CID 25184911
2-Chloro-N-(6-(4-ethoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3yl)acetamide
CID 25184913
6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine
CID 162657292
6-(4-(Allyloxy)-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
CID 25184847
6-(4-Ethoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
CID 25184848
6-(4-Methoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-amine
CID 25184907

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine (CID 86797824) is 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine is CCOc1cc(NCc2ncccc2F)ncn1.
What is the InChIKey of 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is FOPHYFZKYRWNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-2-18-12-6-11(16-8-17-12)15-7-10-9(13)4-3-5-14-10/h3-6,8H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine?
6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 248.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 86797824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).