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

C12H15ClF3N3 — CID 106214696

IUPAC6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H15ClF3N3/c1-6(2)9-17-8(13)7(3)10(18-9)19-11(4-5-11)12(14,15)16/h6H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyVVLMMMGHPFBWRO-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.07
Rot. Bonds3

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

6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine (PubChem CID 106214696) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
PubChem CID106214696
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H15ClF3N3/c1-6(2)9-17-8(13)7(3)10(18-9)19-11(4-5-11)12(14,15)16/h6H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyVVLMMMGHPFBWRO-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]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 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine (CID 106214696) is 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
The InChIKey is VVLMMMGHPFBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-6(2)9-17-8(13)7(3)10(18-9)19-11(4-5-11)12(14,15)16/h6H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine?
6-chloro-5-methyl-2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine has a molecular weight of 293.72 g/mol, XLogP of 4.07, 3 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-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidin-4-amine is sourced from PubChem (CID 106214696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).