N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine

C14H24N4S — CID 80822489

IUPACN-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(NC)nc(SC)n2)CC1
InChIInChI=1S/C14H24N4S/c1-4-5-11-6-8-18(9-7-11)13-10-12(15-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyXVKHEEDZYKYTPX-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.26
Rot. Bonds5

About N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80822489) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID80822489
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(NC)nc(SC)n2)CC1
InChIInChI=1S/C14H24N4S/c1-4-5-11-6-8-18(9-7-11)13-10-12(15-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyXVKHEEDZYKYTPX-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80796740
N-methyl-6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772947
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
N-[6-(4-aminopiperidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hexadecanamide
CID 68579829
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80785670
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
N-ethyl-2-propyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80941270
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine (CID 80822489) is N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine is CCCC1CCN(c2cc(NC)nc(SC)n2)CC1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is XVKHEEDZYKYTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-4-5-11-6-8-18(9-7-11)13-10-12(15-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80822489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).