N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine

C10H12ClF3N4 — CID 156533017

IUPACN-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
SMILES[H]/N=C(/c1c(Cl)ncnc1NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H12ClF3N4/c1-9(2,3)18-8-5(6(15)10(12,13)14)7(11)16-4-17-8/h4,15H,1-3H3,(H,16,17,18)/b15-6-
InChIKeySRWCKBJMCZKBSO-UUASQNMZSA-N
MW280.68 g/mol
LogP3.27
Rot. Bonds2

About N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine

N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine (PubChem CID 156533017) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
PubChem CID156533017
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC NameN-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
SMILES[H]/N=C(/c1c(Cl)ncnc1NC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H12ClF3N4/c1-9(2,3)18-8-5(6(15)10(12,13)14)7(11)16-4-17-8/h4,15H,1-3H3,(H,16,17,18)/b15-6-
InChIKeySRWCKBJMCZKBSO-UUASQNMZSA-N
XLogP3.27
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine (CID 156533017) is N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine is [H]/N=C(/c1c(Cl)ncnc1NC(C)(C)C)C(F)(F)F.
What is the InChIKey of N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
The InChIKey is SRWCKBJMCZKBSO-UUASQNMZSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c1-9(2,3)18-8-5(6(15)10(12,13)14)7(11)16-4-17-8/h4,15H,1-3H3,(H,16,17,18)/b15-6-.
What are the key properties of N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine?
N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine has a molecular weight of 280.68 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine is sourced from PubChem (CID 156533017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).