N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine

C8H13F2N3 — CID 162586926

IUPACN-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESCC1=CN/C(=N\CC(F)F)NC1C
InChIInChI=1S/C8H13F2N3/c1-5-3-11-8(13-6(5)2)12-4-7(9)10/h3,6-7H,4H2,1-2H3,(H2,11,12,13)
InChIKeyHUFFCSCLEIDQCP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.09
Rot. Bonds2

About N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine

N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine (PubChem CID 162586926) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
PubChem CID162586926
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESCC1=CN/C(=N\CC(F)F)NC1C
InChIInChI=1S/C8H13F2N3/c1-5-3-11-8(13-6(5)2)12-4-7(9)10/h3,6-7H,4H2,1-2H3,(H2,11,12,13)
InChIKeyHUFFCSCLEIDQCP-UHFFFAOYSA-N
XLogP1.09
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The IUPAC name of N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine (CID 162586926) is N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The canonical SMILES for N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine is CC1=CN/C(=N\CC(F)F)NC1C.
What is the InChIKey of N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The InChIKey is HUFFCSCLEIDQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5-3-11-8(13-6(5)2)12-4-7(9)10/h3,6-7H,4H2,1-2H3,(H2,11,12,13).
What are the key properties of N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine has a molecular weight of 189.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4,5-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine is sourced from PubChem (CID 162586926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).