2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine

C16H29N3S — CID 79219947

IUPAC2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(CSCC(C)C)nc(CC)c1CCNC
InChIInChI=1S/C16H29N3S/c1-6-14-13(8-9-17-5)15(7-2)19-16(18-14)11-20-10-12(3)4/h12,17H,6-11H2,1-5H3
InChIKeyUPQKFQAZCKWULV-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.25
Rot. Bonds9

About 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 79219947) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID79219947
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCCc1nc(CSCC(C)C)nc(CC)c1CCNC
InChIInChI=1S/C16H29N3S/c1-6-14-13(8-9-17-5)15(7-2)19-16(18-14)11-20-10-12(3)4/h12,17H,6-11H2,1-5H3
InChIKeyUPQKFQAZCKWULV-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine (CID 79219947) is 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine is CCc1nc(CSCC(C)C)nc(CC)c1CCNC.
What is the InChIKey of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is UPQKFQAZCKWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-14-13(8-9-17-5)15(7-2)19-16(18-14)11-20-10-12(3)4/h12,17H,6-11H2,1-5H3.
What are the key properties of 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 79219947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).