N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide

C8H8Cl2F2N4 — CID 163246905

IUPACN'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H8Cl2F2N4/c1-16(2)3-13-8-14-5(9)4(7(11)12)6(10)15-8/h3,7H,1-2H3
InChIKeyNEMFSDROHAGFRV-UHFFFAOYSA-N
MW269.08 g/mol
LogP2.94
Rot. Bonds3

About N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide

N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 163246905) has the molecular formula C8H8Cl2F2N4 and a molecular weight of 269.08 g/mol. Its IUPAC name is N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID163246905
Molecular FormulaC8H8Cl2F2N4
Molecular Weight269.08 g/mol
Exact Mass268.01
IUPAC NameN'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)c(C(F)F)c(Cl)n1
InChIInChI=1S/C8H8Cl2F2N4/c1-16(2)3-13-8-14-5(9)4(7(11)12)6(10)15-8/h3,7H,1-2H3
InChIKeyNEMFSDROHAGFRV-UHFFFAOYSA-N
XLogP2.94
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.08
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 163246905) is N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(Cl)c(C(F)F)c(Cl)n1.
What is the InChIKey of N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is NEMFSDROHAGFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2F2N4/c1-16(2)3-13-8-14-5(9)4(7(11)12)6(10)15-8/h3,7H,1-2H3.
What are the key properties of N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 269.08 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-dichloro-5-(difluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 163246905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).