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

n4-Butyl-6-chloropyrimidine-2,4-diamine
CID 229862
6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 245271
4-Chloro-6-(isopropylamino)pyrimidine
CID 21749030
6-chloro-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 13151080
Iprymidam
CID 4867467
6-Chloro-N4-cyclopropylpyrimidine-2,4-diamine
CID 45791264
4-Chloro-6-(ethylamino)pyrimidine
CID 588452
6-Chloro-2-Ethylpyrimidin-4-Amine
CID 45789645
2,4-Diisobutylamino-6-chloropyrimidine
CID 44569029
2,6-Dichloro-N-propylpyrimidin-4-amine
CID 15338432
2,6-Dichloro-N-methylpyrimidin-4-amine
CID 15563644

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).