N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine

C16H26N4O2S — CID 86286188

IUPACN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)c1C
InChIInChI=1S/C16H26N4O2S/c1-12-13(2)17-11-18-16(12)19-14-3-7-20(8-4-14)15-5-9-23(21,22)10-6-15/h11,14-15H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyWNHQJQBEXLQQJE-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.55
Rot. Bonds3

About N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 86286188) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine
PubChem CID86286188
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)c1C
InChIInChI=1S/C16H26N4O2S/c1-12-13(2)17-11-18-16(12)19-14-3-7-20(8-4-14)15-5-9-23(21,22)10-6-15/h11,14-15H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyWNHQJQBEXLQQJE-UHFFFAOYSA-N
XLogP1.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
[4-[(5,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methylidene-dimethylazanium
CID 123394612
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
4-N-(1,1-dioxothian-4-yl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80789952
4-N-(1,1-dioxothian-4-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80790126
N-(1,1-dioxothian-4-yl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80898843
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
5-bromo-4-N-(1,1-dioxothian-4-yl)pyrimidine-4,6-diamine
CID 114072004
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 91761634
6-chloro-N-(1,1-dioxothian-4-yl)-4,5-dimethylpyridazin-3-amine
CID 63271422
5,7-dimethyl-N-[1-(oxan-4-yl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72892101
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-2-amine
CID 171069962

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine (CID 86286188) is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine is Cc1ncnc(NC2CCN(C3CCS(=O)(=O)CC3)CC2)c1C.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is WNHQJQBEXLQQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-13(2)17-11-18-16(12)19-14-3-7-20(8-4-14)15-5-9-23(21,22)10-6-15/h11,14-15H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine?
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 86286188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).