2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine

C11H19N3S — CID 63697500

IUPAC2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Sc1ccncn1
InChIInChI=1S/C11H19N3S/c1-9(2)6-13-7-10(3)15-11-4-5-12-8-14-11/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyUVUBXCUACKGSIU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.20
Rot. Bonds6

About 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine

2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine (PubChem CID 63697500) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine
PubChem CID63697500
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Sc1ccncn1
InChIInChI=1S/C11H19N3S/c1-9(2)6-13-7-10(3)15-11-4-5-12-8-14-11/h4-5,8-10,13H,6-7H2,1-3H3
InChIKeyUVUBXCUACKGSIU-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrimidin-4-ylsulfanylethanol
CID 54459485
3-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63696626
N-[(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864690
N-methyl-2-pyrimidin-4-ylsulfanylpentan-3-amine
CID 64627855
2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
CID 62580662
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine
CID 55195921
(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
CID 106933386
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
N-methyl-3-pyrimidin-4-ylsulfanylheptan-4-amine
CID 64626049
2-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63697154
1-phenyl-2-pyrimidin-4-ylsulfanylpropan-1-one
CID 63698537
3-methyl-N-(2-pyrimidin-2-ylsulfanylpropyl)butan-1-amine
CID 62578838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine (CID 63697500) is 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine is CC(C)CNCC(C)Sc1ccncn1.
What is the InChIKey of 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine?
The InChIKey is UVUBXCUACKGSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(2)6-13-7-10(3)15-11-4-5-12-8-14-11/h4-5,8-10,13H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine?
2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 63697500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).