6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine

C12H20N4OS — CID 82745901

IUPAC6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CCOC2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-4-13-10-7-11(15-12(14-10)18-3)16(2)9-5-6-17-8-9/h7,9H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyOCMBWGJXBNWGCM-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.86
Rot. Bonds5

About 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 82745901) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
PubChem CID82745901
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CCOC2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-4-13-10-7-11(15-12(14-10)18-3)16(2)9-5-6-17-8-9/h7,9H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyOCMBWGJXBNWGCM-UHFFFAOYSA-N
XLogP1.86
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775647
6-chloro-N-methyl-2-methylsulfanyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82749005
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80809346
4-N,2-dimethyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82746093
2-cyclopropyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82745448
2-tert-butyl-4-N-methyl-4-N-(oxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82751277
4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80799568
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80774336
3-[cyclopropyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanenitrile
CID 80810314
2-(ethoxymethyl)-6-hydrazinyl-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 113401943
2-[cyanomethyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetonitrile
CID 80753887
4-N,6-N-diethyl-4-N-(4-fluorophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80798517

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine (CID 82745901) is 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine is CCNc1cc(N(C)C2CCOC2)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is OCMBWGJXBNWGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-13-10-7-11(15-12(14-10)18-3)16(2)9-5-6-17-8-9/h7,9H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 268.39 g/mol, XLogP of 1.86, 5 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-(oxolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 82745901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).