N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine

C14H23N3OS — CID 106497697

IUPACN,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(SCC2CCCO2)c1C
InChIInChI=1S/C14H23N3OS/c1-9(2)12-16-13(15-4)10(3)14(17-12)19-8-11-6-5-7-18-11/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyUXSJRNNTRYZLKA-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.22
Rot. Bonds5

About N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine

N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106497697) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID106497697
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(SCC2CCCO2)c1C
InChIInChI=1S/C14H23N3OS/c1-9(2)12-16-13(15-4)10(3)14(17-12)19-8-11-6-5-7-18-11/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyUXSJRNNTRYZLKA-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497894
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
2-methyl-3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropan-1-ol
CID 80995863
2-cyclopropyl-5-methyl-6-(oxolan-2-ylmethylsulfanyl)-N-propylpyrimidin-4-amine
CID 106497829
6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736266
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
N,2-dimethyl-6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497707
[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001666
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962
3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80996563
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine (CID 106497697) is N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(SCC2CCCO2)c1C.
What is the InChIKey of N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is UXSJRNNTRYZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9(2)12-16-13(15-4)10(3)14(17-12)19-8-11-6-5-7-18-11/h9,11H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine?
N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106497697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).