4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

C10H18N4OS — CID 80795314

IUPAC4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCOC)nc(SC)n1
InChIInChI=1S/C10H18N4OS/c1-11-8-7-9(13-10(12-8)16-4)14(2)5-6-15-3/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyAXTPMUUKAWWGEG-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.32
Rot. Bonds6

About 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80795314) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80795314
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCOC)nc(SC)n1
InChIInChI=1S/C10H18N4OS/c1-11-8-7-9(13-10(12-8)16-4)14(2)5-6-15-3/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyAXTPMUUKAWWGEG-UHFFFAOYSA-N
XLogP1.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-methoxyethyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanenitrile
CID 80829806
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546845
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804755
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80794329
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80781028
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80844529
6-hydrazinyl-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80901446
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80793975
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80799509
6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103408460

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80795314) is 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(N(C)CCOC)nc(SC)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is AXTPMUUKAWWGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-11-8-7-9(13-10(12-8)16-4)14(2)5-6-15-3/h7H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 242.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80795314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).