6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine

C12H15ClF3N3 — CID 106214729

IUPAC6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15ClF3N3/c1-3-4-8-17-9(13)7(2)10(18-8)19-11(5-6-11)12(14,15)16/h3-6H2,1-2H3,(H,17,18,19)
InChIKeyWUBQCXGRJAZDGB-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.90
Rot. Bonds4

About 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine

6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine (PubChem CID 106214729) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
PubChem CID106214729
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15ClF3N3/c1-3-4-8-17-9(13)7(2)10(18-8)19-11(5-6-11)12(14,15)16/h3-6H2,1-2H3,(H,17,18,19)
InChIKeyWUBQCXGRJAZDGB-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine (CID 106214729) is 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The InChIKey is WUBQCXGRJAZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-3-4-8-17-9(13)7(2)10(18-8)19-11(5-6-11)12(14,15)16/h3-6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine has a molecular weight of 293.72 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-propyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine is sourced from PubChem (CID 106214729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).