1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

C13H23N3S — CID 65141299

IUPAC1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCCC(C)SCc1nc(C)c(CNC)c(C)n1
InChIInChI=1S/C13H23N3S/c1-6-9(2)17-8-13-15-10(3)12(7-14-5)11(4)16-13/h9,14H,6-8H2,1-5H3
InChIKeyFSBMTJZXGUQZOG-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 65141299) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID65141299
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
SMILESCCC(C)SCc1nc(C)c(CNC)c(C)n1
InChIInChI=1S/C13H23N3S/c1-6-9(2)17-8-13-15-10(3)12(7-14-5)11(4)16-13/h9,14H,6-8H2,1-5H3
InChIKeyFSBMTJZXGUQZOG-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 65141350
[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65141039
2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306899
3-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
CID 65141095
N-[[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 65134003
1-[4,6-dimethyl-2-(3-methylbutyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62745995
1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
CID 66096153
1-[2-(butan-2-ylsulfanylmethyl)-4-(difluoromethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206939
5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65131341
4-(butan-2-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 59882082
N-[[2-(butan-2-ylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 65141247
2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 65141140

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine (CID 65141299) is 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is CCC(C)SCc1nc(C)c(CNC)c(C)n1.
What is the InChIKey of 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is FSBMTJZXGUQZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-6-9(2)17-8-13-15-10(3)12(7-14-5)11(4)16-13/h9,14H,6-8H2,1-5H3.
What are the key properties of 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65141299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).