2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine

C10H10Cl2N4S — CID 114139324

IUPAC2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
SMILESNc1cnc(Cl)nc1NCCc1ccc(Cl)s1
InChIInChI=1S/C10H10Cl2N4S/c11-8-2-1-6(17-8)3-4-14-9-7(13)5-15-10(12)16-9/h1-2,5H,3-4,13H2,(H,14,15,16)
InChIKeyWAKUESXSCFCJPE-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine

2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine (PubChem CID 114139324) has the molecular formula C10H10Cl2N4S and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
PubChem CID114139324
Molecular FormulaC10H10Cl2N4S
Molecular Weight289.19 g/mol
Exact Mass288.00
IUPAC Name2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
SMILESNc1cnc(Cl)nc1NCCc1ccc(Cl)s1
InChIInChI=1S/C10H10Cl2N4S/c11-8-2-1-6(17-8)3-4-14-9-7(13)5-15-10(12)16-9/h1-2,5H,3-4,13H2,(H,14,15,16)
InChIKeyWAKUESXSCFCJPE-UHFFFAOYSA-N
XLogP3.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 106042487
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106042449
4-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214874

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine (CID 114139324) is 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine is Nc1cnc(Cl)nc1NCCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine?
The InChIKey is WAKUESXSCFCJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4S/c11-8-2-1-6(17-8)3-4-14-9-7(13)5-15-10(12)16-9/h1-2,5H,3-4,13H2,(H,14,15,16).
What are the key properties of 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine?
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine has a molecular weight of 289.19 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114139324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).