2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine

C12H21N3S — CID 65141597

IUPAC2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(CSC(C)CC)n1
InChIInChI=1S/C12H21N3S/c1-4-7-13-11-6-8-14-12(15-11)9-16-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,13,14,15)
InChIKeyDCTMZKJXBOFBMP-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.33
Rot. Bonds7

About 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine

2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 65141597) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
PubChem CID65141597
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(CSC(C)CC)n1
InChIInChI=1S/C12H21N3S/c1-4-7-13-11-6-8-14-12(15-11)9-16-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,13,14,15)
InChIKeyDCTMZKJXBOFBMP-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(butan-2-ylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65141143
2-(butan-2-ylsulfanylmethyl)-4-chloropyrimidine
CID 65136039
2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089264
2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815248
N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65128593
2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
CID 62191844
[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65141294
6-phenyl-2-(propan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65132208
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 63037745
N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051754

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine (CID 65141597) is 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(CSC(C)CC)n1.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is DCTMZKJXBOFBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-7-13-11-6-8-14-12(15-11)9-16-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine?
2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65141597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).