2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine

C8H7ClN4S — CID 130949775

IUPAC2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccsc2Cl)n1
InChIInChI=1S/C8H7ClN4S/c9-7-5(2-4-14-7)12-8-11-3-1-6(10)13-8/h1-4H,(H3,10,11,12,13)
InChIKeyDOPGUFYFWNYIOT-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.52
Rot. Bonds2

About 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine

2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine (PubChem CID 130949775) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine
PubChem CID130949775
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccsc2Cl)n1
InChIInChI=1S/C8H7ClN4S/c9-7-5(2-4-14-7)12-8-11-3-1-6(10)13-8/h1-4H,(H3,10,11,12,13)
InChIKeyDOPGUFYFWNYIOT-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine (CID 130949775) is 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine is Nc1ccnc(Nc2ccsc2Cl)n1.
What is the InChIKey of 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine?
The InChIKey is DOPGUFYFWNYIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-7-5(2-4-14-7)12-8-11-3-1-6(10)13-8/h1-4H,(H3,10,11,12,13).
What are the key properties of 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine?
2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine has a molecular weight of 226.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorothiophen-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130949775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).