4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine

C12H17FN2O — CID 168800036

IUPAC4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(OCCF)ncnc1C1CC1
InChIInChI=1S/C12H17FN2O/c1-8(2)10-11(9-3-4-9)14-7-15-12(10)16-6-5-13/h7-9H,3-6H2,1-2H3
InChIKeyNYSUVUILESFDKH-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.83
Rot. Bonds5

About 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine

4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine (PubChem CID 168800036) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine
PubChem CID168800036
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(OCCF)ncnc1C1CC1
InChIInChI=1S/C12H17FN2O/c1-8(2)10-11(9-3-4-9)14-7-15-12(10)16-6-5-13/h7-9H,3-6H2,1-2H3
InChIKeyNYSUVUILESFDKH-UHFFFAOYSA-N
XLogP2.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
2-Cyclopropyl-7-methyl-4-(3,3,3-trifluoropropoxy)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 11709448
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
2-Chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
CID 58252174
4-But-2-ynoxy-5-fluoro-6-(3-methylcyclohexyl)pyrimidine
CID 86001386
5-Fluoro-4-(3-methylcyclohexyl)-6-pent-2-ynoxypyrimidine
CID 86001387
4-Cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
CID 89037245
4-But-2-ynoxy-5-fluoro-6-propan-2-ylpyrimidine
CID 90716026
4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
CID 121478453
2-[2-Cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
CID 143219149
2-[2-Cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
CID 143219206
[4-Cyclopropyl-6-(2-fluoroethoxy)pyrimidin-5-yl]boronic acid
CID 146992522

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine (CID 168800036) is 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(OCCF)ncnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine?
The InChIKey is NYSUVUILESFDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)10-11(9-3-4-9)14-7-15-12(10)16-6-5-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine?
4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine has a molecular weight of 224.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2-fluoroethoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 168800036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).