4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine

C13H22N4OS — CID 80799509

IUPAC4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCCCO2)nc(SC)n1
InChIInChI=1S/C13H22N4OS/c1-14-11-8-12(16-13(15-11)19-3)17(2)9-10-6-4-5-7-18-10/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyGZVAMMNWNRLBPA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.25
Rot. Bonds5

About 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80799509) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80799509
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CC2CCCCO2)nc(SC)n1
InChIInChI=1S/C13H22N4OS/c1-14-11-8-12(16-13(15-11)19-3)17(2)9-10-6-4-5-7-18-10/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyGZVAMMNWNRLBPA-UHFFFAOYSA-N
XLogP2.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 50953322
2-ethyl-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80937281
2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 102640099
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
4-N-(2-methoxyethyl)-4-N,6-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80795314
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796286
6-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 80896092
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80795547
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 56718429
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine (CID 80799509) is 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine is CNc1cc(N(C)CC2CCCCO2)nc(SC)n1.
What is the InChIKey of 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is GZVAMMNWNRLBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-14-11-8-12(16-13(15-11)19-3)17(2)9-10-6-4-5-7-18-10/h8,10H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 282.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80799509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).