6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

C13H18N4S — CID 80804570

IUPAC6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)c2cccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-4-14-12-8-13(16-9-15-12)17(3)10(2)11-6-5-7-18-11/h5-10H,4H2,1-3H3,(H,14,15,16)
InChIKeyLKSBBRFRXXEFDR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.17
Rot. Bonds5

About 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80804570) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80804570
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)c2cccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-4-14-12-8-13(16-9-15-12)17(3)10(2)11-6-5-7-18-11/h5-10H,4H2,1-3H3,(H,14,15,16)
InChIKeyLKSBBRFRXXEFDR-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80804570) is 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)C(C)c2cccs2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is LKSBBRFRXXEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-4-14-12-8-13(16-9-15-12)17(3)10(2)11-6-5-7-18-11/h5-10H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80804570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).