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

C8H12F2N4O — CID 136979153

IUPAC4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)(F)CN)cc(=O)[nH]1
InChIInChI=1S/C8H12F2N4O/c1-5-13-6(2-7(15)14-5)12-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyPDDANYBBKUMPDZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.08
Rot. Bonds4

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

4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136979153) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136979153
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)(F)CN)cc(=O)[nH]1
InChIInChI=1S/C8H12F2N4O/c1-5-13-6(2-7(15)14-5)12-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H2,12,13,14,15)
InChIKeyPDDANYBBKUMPDZ-UHFFFAOYSA-N
XLogP0.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 136103440
2-[2-(methylamino)ethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103461
4-piperazin-1-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136327232
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802784
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802785

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136979153) is 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC(F)(F)CN)cc(=O)[nH]1.
What is the InChIKey of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PDDANYBBKUMPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-5-13-6(2-7(15)14-5)12-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 218.21 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-difluoropropyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).