N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

C16H27N3S — CID 80637395

IUPACN-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(C2CCCS2)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C16H27N3S/c1-11-13(8-9-17-16(3,4)5)12(2)19-15(18-11)14-7-6-10-20-14/h14,17H,6-10H2,1-5H3
InChIKeyTXCFJBDUIHCOAR-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.59
Rot. Bonds4

About N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine

N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 80637395) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
PubChem CID80637395
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1nc(C2CCCS2)nc(C)c1CCNC(C)(C)C
InChIInChI=1S/C16H27N3S/c1-11-13(8-9-17-16(3,4)5)12(2)19-15(18-11)14-7-6-10-20-14/h14,17H,6-10H2,1-5H3
InChIKeyTXCFJBDUIHCOAR-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine (CID 80637395) is N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is Cc1nc(C2CCCS2)nc(C)c1CCNC(C)(C)C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is TXCFJBDUIHCOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-11-13(8-9-17-16(3,4)5)12(2)19-15(18-11)14-7-6-10-20-14/h14,17H,6-10H2,1-5H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80637395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).