2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine

C9H13FN2O — CID 126511120

IUPAC2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine
SMILESCCO[C@H](CC)c1ncc(F)cn1
InChIInChI=1S/C9H13FN2O/c1-3-8(13-4-2)9-11-5-7(10)6-12-9/h5-6,8H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyKDFWFVHBCMMNSU-MRVPVSSYSA-N
MW184.21 g/mol
LogP2.10
Rot. Bonds4

About 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine

2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine (PubChem CID 126511120) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine
PubChem CID126511120
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine
SMILESCCO[C@H](CC)c1ncc(F)cn1
InChIInChI=1S/C9H13FN2O/c1-3-8(13-4-2)9-11-5-7(10)6-12-9/h5-6,8H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyKDFWFVHBCMMNSU-MRVPVSSYSA-N
XLogP2.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
1-(Pyrimidin-2-yl)ethan-1-ol
CID 17932922
(1S)-1-pyrimidin-2-ylethanol
CID 78998548
5-Bromo-2-(methoxymethyl)pyrimidine
CID 89881653
4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine
CID 3121397
4-(2-Butoxy-5-fluoropyrimidin-4-yl)morpholine
CID 172695039
1-(5-Bromopyrimidin-2-yl)-2-fluoroethan-1-ol
CID 155823314
Methoxymethylpyrimidine
CID 21271881
2-(Oxiran-2-yl)pyrimidine
CID 21614436
t-Butoxymethylpyrimidine
CID 59393701
Ethoxymethylpyrimidine
CID 89045455
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine?
The IUPAC name of 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine (CID 126511120) is 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine?
The canonical SMILES for 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine is CCO[C@H](CC)c1ncc(F)cn1.
What is the InChIKey of 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine?
The InChIKey is KDFWFVHBCMMNSU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-3-8(13-4-2)9-11-5-7(10)6-12-9/h5-6,8H,3-4H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine?
2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine has a molecular weight of 184.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-ethoxypropyl]-5-fluoropyrimidine is sourced from PubChem (CID 126511120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).