N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

C12H18ClF3N4 — CID 114562209

IUPACN-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H18ClF3N4/c1-11(2,7-20(3)4)6-17-9-5-8(12(14,15)16)18-10(13)19-9/h5H,6-7H2,1-4H3,(H,17,18,19)
InChIKeyFNKHCXABCIMCKP-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.15
Rot. Bonds5

About N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 114562209) has the molecular formula C12H18ClF3N4 and a molecular weight of 310.75 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID114562209
Molecular FormulaC12H18ClF3N4
Molecular Weight310.75 g/mol
Exact Mass310.12
IUPAC NameN-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C12H18ClF3N4/c1-11(2,7-20(3)4)6-17-9-5-8(12(14,15)16)18-10(13)19-9/h5H,6-7H2,1-4H3,(H,17,18,19)
InChIKeyFNKHCXABCIMCKP-UHFFFAOYSA-N
XLogP3.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 114562209) is N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is FNKHCXABCIMCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClF3N4/c1-11(2,7-20(3)4)6-17-9-5-8(12(14,15)16)18-10(13)19-9/h5H,6-7H2,1-4H3,(H,17,18,19).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 310.75 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 114562209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).