N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine

C11H17N3OS — CID 106497707

IUPACN,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(SCC2CCCO2)nc(C)n1
InChIInChI=1S/C11H17N3OS/c1-8-13-10(12-2)6-11(14-8)16-7-9-4-3-5-15-9/h6,9H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyGIADZVHESSPUPD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.10
Rot. Bonds4

About N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine

N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine (PubChem CID 106497707) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
PubChem CID106497707
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(SCC2CCCO2)nc(C)n1
InChIInChI=1S/C11H17N3OS/c1-8-13-10(12-2)6-11(14-8)16-7-9-4-3-5-15-9/h6,9H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyGIADZVHESSPUPD-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
6-hydrazinyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80904049
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 106768785
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497894
6-cyclopropyl-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63354065
2-cyclopropyl-6-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80961722
N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106497697
6-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidine-4-carbonitrile
CID 107551519

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine (CID 106497707) is N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine is CNc1cc(SCC2CCCO2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
The InChIKey is GIADZVHESSPUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-13-10(12-2)6-11(14-8)16-7-9-4-3-5-15-9/h6,9H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine?
N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 106497707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).