1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide

C14H23N5OS — CID 80786083

IUPAC1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
SMILESCCNc1cc(N2CC(C(N)=O)CCC2C)nc(SC)n1
InChIInChI=1S/C14H23N5OS/c1-4-16-11-7-12(18-14(17-11)21-3)19-8-10(13(15)20)6-5-9(19)2/h7,9-10H,4-6,8H2,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyCYQCOKOWGCPZTM-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.72
Rot. Bonds5

About 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide

1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 80786083) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
PubChem CID80786083
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
SMILESCCNc1cc(N2CC(C(N)=O)CCC2C)nc(SC)n1
InChIInChI=1S/C14H23N5OS/c1-4-16-11-7-12(18-14(17-11)21-3)19-8-10(13(15)20)6-5-9(19)2/h7,9-10H,4-6,8H2,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyCYQCOKOWGCPZTM-UHFFFAOYSA-N
XLogP1.72
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (CID 80786083) is 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide is CCNc1cc(N2CC(C(N)=O)CCC2C)nc(SC)n1.
What is the InChIKey of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The InChIKey is CYQCOKOWGCPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-4-16-11-7-12(18-14(17-11)21-3)19-8-10(13(15)20)6-5-9(19)2/h7,9-10H,4-6,8H2,1-3H3,(H2,15,20)(H,16,17,18).
What are the key properties of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 80786083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).