2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine

C15H26N4S — CID 106973651

IUPAC2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
SMILESCSc1cc(N2CCCC(CNCC(C)C)C2)ncn1
InChIInChI=1S/C15H26N4S/c1-12(2)8-16-9-13-5-4-6-19(10-13)14-7-15(20-3)18-11-17-14/h7,11-13,16H,4-6,8-10H2,1-3H3
InChIKeyMSKTWMZKWCMFPT-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.66
Rot. Bonds6

About 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine

2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine (PubChem CID 106973651) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
PubChem CID106973651
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine
SMILESCSc1cc(N2CCCC(CNCC(C)C)C2)ncn1
InChIInChI=1S/C15H26N4S/c1-12(2)8-16-9-13-5-4-6-19(10-13)14-7-15(20-3)18-11-17-14/h7,11-13,16H,4-6,8-10H2,1-3H3
InChIKeyMSKTWMZKWCMFPT-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine
CID 25130897
6-[2-(dimethylamino)ethylsulfanyl]-N-propan-2-ylpyrimidin-4-amine
CID 172436450
Pyrimidine, 4-methylamino-6-methylthio-
CID 79006689
6-(methylsulfanyl)-N-propylpyrimidin-4-amine
CID 80885847
4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 235450
N-ethyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80829877
N-ethyl-2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80830347
N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847088
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293804
6-methylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 106972627
6-methylsulfanyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 106972822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine (CID 106973651) is 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine is CSc1cc(N2CCCC(CNCC(C)C)C2)ncn1.
What is the InChIKey of 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is MSKTWMZKWCMFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-12(2)8-16-9-13-5-4-6-19(10-13)14-7-15(20-3)18-11-17-14/h7,11-13,16H,4-6,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 294.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106973651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).