4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one

C9H13F2N3O2 — CID 167804464

IUPAC4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(NCC(C)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H13F2N3O2/c1-9(10,11)5-12-6-3-8(15)14-7(13-6)4-16-2/h3H,4-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyLSJVOWWDRUPERW-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.98
Rot. Bonds5

About 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one

4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 167804464) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID167804464
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(NCC(C)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H13F2N3O2/c1-9(10,11)5-12-6-3-8(15)14-7(13-6)4-16-2/h3H,4-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyLSJVOWWDRUPERW-UHFFFAOYSA-N
XLogP0.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 167804464) is 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(NCC(C)(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is LSJVOWWDRUPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-9(10,11)5-12-6-3-8(15)14-7(13-6)4-16-2/h3H,4-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 233.22 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167804464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).