2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine

C14H23N3OS — CID 106496585

IUPAC2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnc(SCC2CCCO2)nc1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)17-9-11-7-15-13(16-8-11)19-10-12-5-4-6-18-12/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyXKTGNQKAHYZPSU-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.64
Rot. Bonds5

About 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 106496585) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID106496585
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnc(SCC2CCCO2)nc1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)17-9-11-7-15-13(16-8-11)19-10-12-5-4-6-18-12/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyXKTGNQKAHYZPSU-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-methyl-4-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 106496534
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 80631769
2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172329
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
2-methyl-N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 65172378
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 106496585) is 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine is CC(C)(C)NCc1cnc(SCC2CCCO2)nc1.
What is the InChIKey of 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is XKTGNQKAHYZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2,3)17-9-11-7-15-13(16-8-11)19-10-12-5-4-6-18-12/h7-8,12,17H,4-6,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 106496585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).