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

C14H20N4S2 — CID 80804572

IUPAC6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)c2cccs2)nc(SC)n1
InChIInChI=1S/C14H20N4S2/c1-5-15-12-9-13(17-14(16-12)19-4)18(3)10(2)11-7-6-8-20-11/h6-10H,5H2,1-4H3,(H,15,16,17)
InChIKeySMPNFNCRBSVIFT-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.89
Rot. Bonds6

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

6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80804572) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80804572
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)c2cccs2)nc(SC)n1
InChIInChI=1S/C14H20N4S2/c1-5-15-12-9-13(17-14(16-12)19-4)18(3)10(2)11-7-6-8-20-11/h6-10H,5H2,1-4H3,(H,15,16,17)
InChIKeySMPNFNCRBSVIFT-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80961798
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804570
4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775647
6-hydrazinyl-N,2-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905613
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80782018
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80815078
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80965115
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905406
4-N-[1-(2-fluorophenyl)ethyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80808525
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80809385
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62482403

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80804572) is 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)C(C)c2cccs2)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is SMPNFNCRBSVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-5-15-12-9-13(17-14(16-12)19-4)18(3)10(2)11-7-6-8-20-11/h6-10H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 308.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80804572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).