4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C9H7F3N4S — CID 106772407

IUPAC4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)8-15-6(13)3-7(16-8)14-5-1-2-17-4-5/h1-4H,(H3,13,14,15,16)
InChIKeyMQAKIBSXDQHPKV-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.88
Rot. Bonds2

About 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772407) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772407
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccsc2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)8-15-6(13)3-7(16-8)14-5-1-2-17-4-5/h1-4H,(H3,13,14,15,16)
InChIKeyMQAKIBSXDQHPKV-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769991
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
4-N-(3-bromo-4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772502
4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770049
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772648
4-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772319
4-N-(2,5-difluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769978
4-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770731
4-N-(2-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770018
4-N-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770931

Frequently Asked Questions

What is the IUPAC name of 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772407) is 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(Nc2ccsc2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is MQAKIBSXDQHPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)8-15-6(13)3-7(16-8)14-5-1-2-17-4-5/h1-4H,(H3,13,14,15,16).
What are the key properties of 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 260.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).