2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine

C10H12F2N2O2 — CID 87976665

IUPAC2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
SMILESCOc1cc(OCC(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H12F2N2O2/c1-15-8-4-9(16-5-7(11)12)14-10(13-8)6-2-3-6/h4,6-7H,2-3,5H2,1H3
InChIKeyQKRHWEZYHXFFCI-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.01
Rot. Bonds5

About 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine

2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine (PubChem CID 87976665) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
PubChem CID87976665
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine
SMILESCOc1cc(OCC(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H12F2N2O2/c1-15-8-4-9(16-5-7(11)12)14-10(13-8)6-2-3-6/h4,6-7H,2-3,5H2,1H3
InChIKeyQKRHWEZYHXFFCI-UHFFFAOYSA-N
XLogP2.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etrimfos
CID 37995
2-Amino-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 4334263
Phosphoric acid, 6-ethoxy-2-ethyl-4-pyrimidinyl dimethyl ester
CID 162882
2,4,6-Triisobutoxy-pyrimidine
CID 25128815
4,6-diethoxy-2-methylPyrimidine
CID 12415536
4-Methoxy-6-(2,2,2-trifluoroethoxy)-2-pyrimidinamine
CID 3109473
2-Amino-4,6-diethoxypyrimidine
CID 2337561
4,6-Dimethoxy-2-methylpyrimidine
CID 11040904
2-Ethoxy-4,6-dimethoxypyrimidine
CID 21611214
4-Ethoxy-6-methoxypyrimidin-2-amine
CID 22104173
4-(Difluoromethoxy)-6-(1,1,2,3,3,3-hexafluoropropoxy)-2-methylsulfanylpyrimidine
CID 13961962
2-(4,6-Dimethoxypyrimidine-2-yl)acetonitrile
CID 14580674

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine?
The IUPAC name of 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine (CID 87976665) is 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine is COc1cc(OCC(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine?
The InChIKey is QKRHWEZYHXFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-15-8-4-9(16-5-7(11)12)14-10(13-8)6-2-3-6/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine?
2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine has a molecular weight of 230.21 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2-difluoroethoxy)-6-methoxypyrimidine is sourced from PubChem (CID 87976665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).