N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C12H17ClF3N3O — CID 106767489

IUPACN-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)N(CCOC)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17ClF3N3O/c1-4-8(2)19(5-6-20-3)10-7-9(13)17-11(18-10)12(14,15)16/h7-8H,4-6H2,1-3H3
InChIKeyJARLNEXRFCNSCZ-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.40
Rot. Bonds6

About N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767489) has the molecular formula C12H17ClF3N3O and a molecular weight of 311.74 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767489
Molecular FormulaC12H17ClF3N3O
Molecular Weight311.74 g/mol
Exact Mass311.10
IUPAC NameN-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)N(CCOC)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17ClF3N3O/c1-4-8(2)19(5-6-20-3)10-7-9(13)17-11(18-10)12(14,15)16/h7-8H,4-6H2,1-3H3
InChIKeyJARLNEXRFCNSCZ-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767489) is N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCC(C)N(CCOC)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JARLNEXRFCNSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3O/c1-4-8(2)19(5-6-20-3)10-7-9(13)17-11(18-10)12(14,15)16/h7-8H,4-6H2,1-3H3.
What are the key properties of N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 311.74 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).