N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine

C7H11F2N3 — CID 162610072

IUPACN-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine
SMILESC=NC(C)C1=NCC(F)(F)CN1
InChIInChI=1S/C7H11F2N3/c1-5(10-2)6-11-3-7(8,9)4-12-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyUCJXOCMPTAKBBD-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.71
Rot. Bonds2

About N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine

N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine (PubChem CID 162610072) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine.

Molecular Properties

Compound NameN-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine
PubChem CID162610072
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC NameN-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine
SMILESC=NC(C)C1=NCC(F)(F)CN1
InChIInChI=1S/C7H11F2N3/c1-5(10-2)6-11-3-7(8,9)4-12-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyUCJXOCMPTAKBBD-UHFFFAOYSA-N
XLogP0.71
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
CID 58801098
2-(2,2,2-Trifluoroethyl)-1,4,5,6-tetrahydropyrimidine
CID 89646507
2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine
CID 139430227
5,5-difluoro-2-propan-2-yl-4,6-dihydro-1H-pyrimidine
CID 139457733
3-(Difluoromethyl)-1,2,3,6-tetrahydropyrazin-5-amine
CID 141299458
2-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-imidazole
CID 142566329
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane
CID 156753723
2,2-difluoro-N'-methyl-N-propan-2-ylpropanimidamide
CID 163657655
N-propan-2-yl-N'-(2,2,2-trifluoroethyl)propanimidamide
CID 168742266
N-propan-2-yl-N'-(1,1,1-trifluoropropan-2-yl)propanimidamide
CID 168742295
1,1,1-Trifluoro-3-(1-methyl-4,5-dihydroimidazol-2-yl)propan-2-amine
CID 82400636
N-butyl-2-(trifluoromethyl)-3,5-dihydropurin-6-imine
CID 135747511

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine?
The IUPAC name of N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine (CID 162610072) is N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine.
What is the SMILES notation for N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine?
The canonical SMILES for N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine is C=NC(C)C1=NCC(F)(F)CN1.
What is the InChIKey of N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine?
The InChIKey is UCJXOCMPTAKBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c1-5(10-2)6-11-3-7(8,9)4-12-6/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine?
N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine has a molecular weight of 175.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)ethyl]methanimine is sourced from PubChem (CID 162610072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).