N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine

C19H24N4OS — CID 162717927

IUPACN,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine
SMILESCCN(CC)CCSc1nccc(-n2ccc3cc(OC)ccc32)n1
InChIInChI=1S/C19H24N4OS/c1-4-22(5-2)12-13-25-19-20-10-8-18(21-19)23-11-9-15-14-16(24-3)6-7-17(15)23/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyCEOHVHWPNRCMGR-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.86
Rot. Bonds8

About N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine

N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine (PubChem CID 162717927) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine
PubChem CID162717927
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine
SMILESCCN(CC)CCSc1nccc(-n2ccc3cc(OC)ccc32)n1
InChIInChI=1S/C19H24N4OS/c1-4-22(5-2)12-13-25-19-20-10-8-18(21-19)23-11-9-15-14-16(24-3)6-7-17(15)23/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyCEOHVHWPNRCMGR-UHFFFAOYSA-N
XLogP3.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine?
The IUPAC name of N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine (CID 162717927) is N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine?
The canonical SMILES for N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine is CCN(CC)CCSc1nccc(-n2ccc3cc(OC)ccc32)n1.
What is the InChIKey of N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine?
The InChIKey is CEOHVHWPNRCMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-4-22(5-2)12-13-25-19-20-10-8-18(21-19)23-11-9-15-14-16(24-3)6-7-17(15)23/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine?
N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine has a molecular weight of 356.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(5-methoxyindol-1-yl)pyrimidin-2-yl]sulfanylethanamine is sourced from PubChem (CID 162717927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).