5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one

C7H11F2N5O — CID 136979151

IUPAC5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
SMILESNCC(F)(F)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11F2N5O/c8-7(9,1-10)2-12-5-4(11)6(15)14-3-13-5/h3H,1-2,10-11H2,(H2,12,13,14,15)
InChIKeyQRUUZZQPCCTSKW-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.64
Rot. Bonds4

About 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136979151) has the molecular formula C7H11F2N5O and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
PubChem CID136979151
Molecular FormulaC7H11F2N5O
Molecular Weight219.19 g/mol
Exact Mass219.09
IUPAC Name5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
SMILESNCC(F)(F)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11F2N5O/c8-7(9,1-10)2-12-5-4(11)6(15)14-3-13-5/h3H,1-2,10-11H2,(H2,12,13,14,15)
InChIKeyQRUUZZQPCCTSKW-UHFFFAOYSA-N
XLogP-0.64
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
5-amino-4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728232
5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736699
5-amino-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786689
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849682
5-amino-4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932130
5-amino-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973712
5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975603
5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136976577
5-amino-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976588
4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
CID 136979145

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one (CID 136979151) is 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one is NCC(F)(F)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QRUUZZQPCCTSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N5O/c8-7(9,1-10)2-12-5-4(11)6(15)14-3-13-5/h3H,1-2,10-11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 219.19 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).