N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine

C20H26N4O2S — CID 112934602

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCN(c1cc(-c2ccccc2)nc(N2CCCCC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O2S/c1-23(17-10-13-27(25,26)15-17)19-14-18(16-8-4-2-5-9-16)21-20(22-19)24-11-6-3-7-12-24/h2,4-5,8-9,14,17H,3,6-7,10-13,15H2,1H3
InChIKeyZYJJQVPPGOVLOH-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.76
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112934602) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112934602
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCN(c1cc(-c2ccccc2)nc(N2CCCCC2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O2S/c1-23(17-10-13-27(25,26)15-17)19-14-18(16-8-4-2-5-9-16)21-20(22-19)24-11-6-3-7-12-24/h2,4-5,8-9,14,17H,3,6-7,10-13,15H2,1H3
InChIKeyZYJJQVPPGOVLOH-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,4-triazin-5-amine
CID 112955110
2-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidin-4-amine
CID 112937542
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933432
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2230377
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 112921934
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112896174
azepan-1-yl-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-pyridinyl]methanone
CID 109173464
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298262
2-N,4-N-bis(1,1-dioxothiolan-3-yl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 112921910
N-(1,1-dioxothian-4-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 75424402
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine (CID 112934602) is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine is CN(c1cc(-c2ccccc2)nc(N2CCCCC2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ZYJJQVPPGOVLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-23(17-10-13-27(25,26)15-17)19-14-18(16-8-4-2-5-9-16)21-20(22-19)24-11-6-3-7-12-24/h2,4-5,8-9,14,17H,3,6-7,10-13,15H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 386.52 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112934602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).