5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one

C6H8F2N4O — CID 136976577

IUPAC5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC(F)F)nc[nH]c1=O
InChIInChI=1S/C6H8F2N4O/c7-3(8)1-10-5-4(9)6(13)12-2-11-5/h2-3H,1,9H2,(H2,10,11,12,13)
InChIKeySUINXUWTXQDZFE-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.03
Rot. Bonds3

About 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one

5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 136976577) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
PubChem CID136976577
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC(F)F)nc[nH]c1=O
InChIInChI=1S/C6H8F2N4O/c7-3(8)1-10-5-4(9)6(13)12-2-11-5/h2-3H,1,9H2,(H2,10,11,12,13)
InChIKeySUINXUWTXQDZFE-UHFFFAOYSA-N
XLogP0.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one (CID 136976577) is 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one is Nc1c(NCC(F)F)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is SUINXUWTXQDZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c7-3(8)1-10-5-4(9)6(13)12-2-11-5/h2-3H,1,9H2,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 190.15 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).