4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one

C9H14FN3O2 — CID 143827367

IUPAC4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one
SMILESCC(C)OC(C)n1cc(F)c(N)nc1=O
InChIInChI=1S/C9H14FN3O2/c1-5(2)15-6(3)13-4-7(10)8(11)12-9(13)14/h4-6H,1-3H3,(H2,11,12,14)
InChIKeyWUAZXCDZRVYXTB-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.91
Rot. Bonds3

About 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one

4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one (PubChem CID 143827367) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one
PubChem CID143827367
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one
SMILESCC(C)OC(C)n1cc(F)c(N)nc1=O
InChIInChI=1S/C9H14FN3O2/c1-5(2)15-6(3)13-4-7(10)8(11)12-9(13)14/h4-6H,1-3H3,(H2,11,12,14)
InChIKeyWUAZXCDZRVYXTB-UHFFFAOYSA-N
XLogP0.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-fluoro-1-tetrahydro-2-furanyl-2(1H)-pyrimidinone
CID 13100575
isopropyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138312
4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
4-Amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one
CID 58166475
4-amino-5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 67764139
4-amino-5-fluoro-1-[(2R)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 70882467
4-Amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one
CID 70885363
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
4-Amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
CID 130330204
4-Amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
CID 130330273
4-Amino-5-fluoro-1-[1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
CID 142858483
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide
CID 143827387

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one (CID 143827367) is 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one is CC(C)OC(C)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one?
The InChIKey is WUAZXCDZRVYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-5(2)15-6(3)13-4-7(10)8(11)12-9(13)14/h4-6H,1-3H3,(H2,11,12,14).
What are the key properties of 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one has a molecular weight of 215.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one is sourced from PubChem (CID 143827367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).