N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine

C15H24N4O2S — CID 126887815

IUPACN-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(CC3CCS(=O)(=O)C3)CC2)ncn1
InChIInChI=1S/C15H24N4O2S/c1-12-8-15(17-11-16-12)18-14-2-5-19(6-3-14)9-13-4-7-22(20,21)10-13/h8,11,13-14H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyCFNQFQUMLVECDL-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.10
Rot. Bonds4

About N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine

N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887815) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887815
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(CC3CCS(=O)(=O)C3)CC2)ncn1
InChIInChI=1S/C15H24N4O2S/c1-12-8-15(17-11-16-12)18-14-2-5-19(6-3-14)9-13-4-7-22(20,21)10-13/h8,11,13-14H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyCFNQFQUMLVECDL-UHFFFAOYSA-N
XLogP1.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
CID 126887688
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126887717
N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine
CID 66327551
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887741
6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171996018
6-methyl-N-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887752
1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 62133246
4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80789316

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887815) is N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(CC3CCS(=O)(=O)C3)CC2)ncn1.
What is the InChIKey of N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is CFNQFQUMLVECDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-8-15(17-11-16-12)18-14-2-5-19(6-3-14)9-13-4-7-22(20,21)10-13/h8,11,13-14H,2-7,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).