4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

C13H17ClN4S — CID 106042449

IUPAC4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCc2ccc(Cl)s2)c1C
InChIInChI=1S/C13H17ClN4S/c1-8-12(15-3)17-9(2)18-13(8)16-7-6-10-4-5-11(14)19-10/h4-5H,6-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyUBNQUQVPWQHNED-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.50
Rot. Bonds5

About 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 106042449) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID106042449
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCc2ccc(Cl)s2)c1C
InChIInChI=1S/C13H17ClN4S/c1-8-12(15-3)17-9(2)18-13(8)16-7-6-10-4-5-11(14)19-10/h4-5H,6-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyUBNQUQVPWQHNED-UHFFFAOYSA-N
XLogP3.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106038517
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
6-N,2,5-trimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 103012590
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80780316
4-N-[2-(2-fluorophenyl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80786040
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methylquinazolin-4-amine
CID 112843876
6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106808
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
N-[2-(5-chlorothiophen-2-yl)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103702670
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106042451

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 106042449) is 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NCCc2ccc(Cl)s2)c1C.
What is the InChIKey of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is UBNQUQVPWQHNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-8-12(15-3)17-9(2)18-13(8)16-7-6-10-4-5-11(14)19-10/h4-5H,6-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 296.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106042449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).