2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one

C12H17FN2O2 — CID 139460569

IUPAC2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(OCC2CC2)c(F)c(=O)[nH]1
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)11-14-9(16)8(13)10(15-11)17-6-7-4-5-7/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyFNOJWDQYHVTCGZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.00
Rot. Bonds3

About 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one

2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one (PubChem CID 139460569) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one
PubChem CID139460569
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one
SMILESCC(C)(C)c1nc(OCC2CC2)c(F)c(=O)[nH]1
InChIInChI=1S/C12H17FN2O2/c1-12(2,3)11-14-9(16)8(13)10(15-11)17-6-7-4-5-7/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyFNOJWDQYHVTCGZ-UHFFFAOYSA-N
XLogP2.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one (CID 139460569) is 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one is CC(C)(C)c1nc(OCC2CC2)c(F)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is FNOJWDQYHVTCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,3)11-14-9(16)8(13)10(15-11)17-6-7-4-5-7/h7H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one?
2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 240.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 139460569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).