5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine

C12H10ClF3N4S — CID 167026380

IUPAC5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)C1CC1Nc1nc(Nc2ccsc2)ncc1Cl
InChIInChI=1S/C12H10ClF3N4S/c13-8-4-17-11(18-6-1-2-21-5-6)20-10(8)19-9-3-7(9)12(14,15)16/h1-2,4-5,7,9H,3H2,(H2,17,18,19,20)
InChIKeyXIINYQNMBCTQOW-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.30
Rot. Bonds4

About 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine

5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine (PubChem CID 167026380) has the molecular formula C12H10ClF3N4S and a molecular weight of 334.75 g/mol. Its IUPAC name is 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
PubChem CID167026380
Molecular FormulaC12H10ClF3N4S
Molecular Weight334.75 g/mol
Exact Mass334.03
IUPAC Name5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)C1CC1Nc1nc(Nc2ccsc2)ncc1Cl
InChIInChI=1S/C12H10ClF3N4S/c13-8-4-17-11(18-6-1-2-21-5-6)20-10(8)19-9-3-7(9)12(14,15)16/h1-2,4-5,7,9H,3H2,(H2,17,18,19,20)
InChIKeyXIINYQNMBCTQOW-UHFFFAOYSA-N
XLogP4.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine (CID 167026380) is 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine is FC(F)(F)C1CC1Nc1nc(Nc2ccsc2)ncc1Cl.
What is the InChIKey of 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
The InChIKey is XIINYQNMBCTQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4S/c13-8-4-17-11(18-6-1-2-21-5-6)20-10(8)19-9-3-7(9)12(14,15)16/h1-2,4-5,7,9H,3H2,(H2,17,18,19,20).
What are the key properties of 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine has a molecular weight of 334.75 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 167026380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).