5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine

C7H12F2N2 — CID 139457733

IUPAC5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine
SMILESCC(C)C1=NCC(F)(F)CN1
InChIInChI=1S/C7H12F2N2/c1-5(2)6-10-3-7(8,9)4-11-6/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyKAKRNVSOCSJGCA-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.28
Rot. Bonds1

About 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine

5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine (PubChem CID 139457733) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine
PubChem CID139457733
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine
SMILESCC(C)C1=NCC(F)(F)CN1
InChIInChI=1S/C7H12F2N2/c1-5(2)6-10-3-7(8,9)4-11-6/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyKAKRNVSOCSJGCA-UHFFFAOYSA-N
XLogP1.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)-1,4,5,6-tetrahydropyrimidine
CID 12868377
2-Ethyl-1,4,5,6-tetrahydropyrimidine
CID 21290279
5-Fluoro-2-methyl-1,4,5,6-tetrahydropyrimidine
CID 58719934
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
CID 58801098
2-Methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
CID 89068401
2-(2,2,3,3-Tetrafluoropropyl)-1,4,5,6-tetrahydropyrimidine
CID 89645915
2-(2,2,2-Trifluoroethyl)-1,4,5,6-tetrahydropyrimidine
CID 89646507
Pyrimidine, 1,4,5,6-tetrahydro-2-(trifluoromethyl)-
CID 102470705
N'-ethynyl-2-methyl-N-(2,2,2-trifluoroethyl)propanimidamide
CID 136003465
2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine
CID 139430227
2,2,2-trifluoro-N'-methyl-N-(2-methylpropyl)ethanimidamide
CID 139564036
N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide
CID 143692266

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine (CID 139457733) is 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine is CC(C)C1=NCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine?
The InChIKey is KAKRNVSOCSJGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-5(2)6-10-3-7(8,9)4-11-6/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine?
5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine has a molecular weight of 162.18 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 139457733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).