4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine

C12H18ClF3N4 — CID 142292861

IUPAC4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine
SMILESCNC1CCCCC1.Nc1cnc(C(F)(F)F)nc1Cl
InChIInChI=1S/C7H15N.C5H3ClF3N3/c1-8-7-5-3-2-4-6-7;6-3-2(10)1-11-4(12-3)5(7,8)9/h7-8H,2-6H2,1H3;1H,10H2
InChIKeyDGVLZKKQIVXSSH-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.27
Rot. Bonds1

About 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine

4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine (PubChem CID 142292861) has the molecular formula C12H18ClF3N4 and a molecular weight of 310.75 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine
PubChem CID142292861
Molecular FormulaC12H18ClF3N4
Molecular Weight310.75 g/mol
Exact Mass310.12
IUPAC Name4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine
SMILESCNC1CCCCC1.Nc1cnc(C(F)(F)F)nc1Cl
InChIInChI=1S/C7H15N.C5H3ClF3N3/c1-8-7-5-3-2-4-6-7;6-3-2(10)1-11-4(12-3)5(7,8)9/h7-8H,2-6H2,1H3;1H,10H2
InChIKeyDGVLZKKQIVXSSH-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine?
The IUPAC name of 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine (CID 142292861) is 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine is CNC1CCCCC1.Nc1cnc(C(F)(F)F)nc1Cl.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine?
The InChIKey is DGVLZKKQIVXSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H3ClF3N3/c1-8-7-5-3-2-4-6-7;6-3-2(10)1-11-4(12-3)5(7,8)9/h7-8H,2-6H2,1H3;1H,10H2.
What are the key properties of 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine?
4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine has a molecular weight of 310.75 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)pyrimidin-5-amine;N-methylcyclohexanamine is sourced from PubChem (CID 142292861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).