N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C12H17F2N3O3 — CID 136785581

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCC(F)(F)CO)c(=O)[nH]1
InChIInChI=1S/C12H17F2N3O3/c1-7-9(11(20)17-8(2)16-7)3-4-10(19)15-5-12(13,14)6-18/h18H,3-6H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyQHFLOYDXOGBUJX-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.06
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 136785581) has the molecular formula C12H17F2N3O3 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID136785581
Molecular FormulaC12H17F2N3O3
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NCC(F)(F)CO)c(=O)[nH]1
InChIInChI=1S/C12H17F2N3O3/c1-7-9(11(20)17-8(2)16-7)3-4-10(19)15-5-12(13,14)6-18/h18H,3-6H2,1-2H3,(H,15,19)(H,16,17,20)
InChIKeyQHFLOYDXOGBUJX-UHFFFAOYSA-N
XLogP0.06
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopropyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136671940
N-(2,2-difluoroethyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)propanamide
CID 136737790
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136797850
5-[1-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136849691
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 136908900
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxybutyl)propanamide
CID 135996448
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N,N-bis(2-hydroxyethyl)propanamide
CID 136033620
5-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136064452
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 136070038
3-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]-2-methylpropanoic acid
CID 136117060
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide
CID 136125770
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-ethylpropanamide
CID 136125775

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 136785581) is N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(C)c(CCC(=O)NCC(F)(F)CO)c(=O)[nH]1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is QHFLOYDXOGBUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3/c1-7-9(11(20)17-8(2)16-7)3-4-10(19)15-5-12(13,14)6-18/h18H,3-6H2,1-2H3,(H,15,19)(H,16,17,20).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 289.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 136785581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).