6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H13ClF3N3 — CID 106766912

IUPAC6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)C(C)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3/c1-5(2)6(3)15-8-4-7(11)16-9(17-8)10(12,13)14/h4-6H,1-3H3,(H,15,16,17)
InChIKeyDGOKVTMVZRROJI-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.61
Rot. Bonds3

About 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106766912) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106766912
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)C(C)Nc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3/c1-5(2)6(3)15-8-4-7(11)16-9(17-8)10(12,13)14/h4-6H,1-3H3,(H,15,16,17)
InChIKeyDGOKVTMVZRROJI-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 114168059
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767901
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide
CID 106768277
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106768280
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767581
6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767917
N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106767627
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
2-tert-butyl-6-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80956274

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106766912) is 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(C)C(C)Nc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DGOKVTMVZRROJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c1-5(2)6(3)15-8-4-7(11)16-9(17-8)10(12,13)14/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 267.68 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106766912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).