N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C14H16F3N5 — CID 75409343

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCc1cc(C)nc(NCCNc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C14H16F3N5/c1-9-8-10(2)22-13(21-9)20-7-6-19-12-11(14(15,16)17)4-3-5-18-12/h3-5,8H,6-7H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyOXAAHVZFSOAAEZ-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.03
Rot. Bonds5

About N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 75409343) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID75409343
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCc1cc(C)nc(NCCNc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C14H16F3N5/c1-9-8-10(2)22-13(21-9)20-7-6-19-12-11(14(15,16)17)4-3-5-18-12/h3-5,8H,6-7H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyOXAAHVZFSOAAEZ-UHFFFAOYSA-N
XLogP3.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 62315023
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 78863268
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 108787713
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 75409343) is N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is Cc1cc(C)nc(NCCNc2ncccc2C(F)(F)F)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is OXAAHVZFSOAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-9-8-10(2)22-13(21-9)20-7-6-19-12-11(14(15,16)17)4-3-5-18-12/h3-5,8H,6-7H2,1-2H3,(H,18,19)(H,20,21,22).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 311.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 75409343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).