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

C12H16N4S — CID 80781298

IUPAC6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2cccs2)ncn1
InChIInChI=1S/C12H16N4S/c1-3-13-11-7-12(15-8-14-11)16-9(2)10-5-4-6-17-10/h4-9H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyPJORFGFUWZXCRE-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.14
Rot. Bonds5

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

6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80781298) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80781298
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2cccs2)ncn1
InChIInChI=1S/C12H16N4S/c1-3-13-11-7-12(15-8-14-11)16-9(2)10-5-4-6-17-10/h4-9H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyPJORFGFUWZXCRE-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4,6-triamine
CID 80781743
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804570
2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80933955
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
6-chloro-4-N-ethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780980
[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763839
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine
CID 133349963

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80781298) is 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(NC(C)c2cccs2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is PJORFGFUWZXCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-13-11-7-12(15-8-14-11)16-9(2)10-5-4-6-17-10/h4-9H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 248.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80781298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).