4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C11H18N4S — CID 80775647

IUPAC4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CC2)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-4-12-9-7-10(14-11(13-9)16-3)15(2)8-5-6-8/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyNHNMWWIFYJJDBY-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.23
Rot. Bonds5

About 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80775647) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80775647
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C2CC2)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-4-12-9-7-10(14-11(13-9)16-3)15(2)8-5-6-8/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyNHNMWWIFYJJDBY-UHFFFAOYSA-N
XLogP2.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(oxolan-3-yl)pyrimidine-4,6-diamine
CID 82745901
6-N-ethyl-4-N-methyl-4-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80809346
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
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
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
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80808574
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804572

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80775647) is 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(N(C)C2CC2)nc(SC)n1.
What is the InChIKey of 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is NHNMWWIFYJJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-4-12-9-7-10(14-11(13-9)16-3)15(2)8-5-6-8/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80775647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).