2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine

C6H5ClF3N3 — CID 123571784

IUPAC2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(CCl)ncc1C(F)(F)F
InChIInChI=1S/C6H5ClF3N3/c7-1-4-12-2-3(5(11)13-4)6(8,9)10/h2H,1H2,(H2,11,12,13)
InChIKeyLHZLHXRPUXBKCS-UHFFFAOYSA-N
MW211.57 g/mol
LogP1.82
Rot. Bonds1

About 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine

2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 123571784) has the molecular formula C6H5ClF3N3 and a molecular weight of 211.57 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID123571784
Molecular FormulaC6H5ClF3N3
Molecular Weight211.57 g/mol
Exact Mass211.01
IUPAC Name2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(CCl)ncc1C(F)(F)F
InChIInChI=1S/C6H5ClF3N3/c7-1-4-12-2-3(5(11)13-4)6(8,9)10/h2H,1H2,(H2,11,12,13)
InChIKeyLHZLHXRPUXBKCS-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 157417195
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119011225
4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
CID 75132224
2-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 174763110
5-(chloromethyl)-2-ethylpyrimidin-4-amine
CID 118060527
5-(trifluoromethyl)-2-N-(2,3,4-trimethylpentan-3-yl)pyrimidine-2,4-diamine
CID 134417382
2,5-bis(2-chloroethyl)pyrimidin-4-amine
CID 123359633
2-[4,5-bis(trifluoromethyl)pyrimidin-2-yl]acetonitrile
CID 162523531
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474
2-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 154274920
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
[6-amino-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119001294

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 123571784) is 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine is Nc1nc(CCl)ncc1C(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LHZLHXRPUXBKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3/c7-1-4-12-2-3(5(11)13-4)6(8,9)10/h2H,1H2,(H2,11,12,13).
What are the key properties of 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 211.57 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 123571784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).