N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine

C14H21N3S — CID 62580330

IUPACN-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1cnc(SCCNC(C2CC2)C2CC2)nc1
InChIInChI=1S/C14H21N3S/c1-10-8-16-14(17-9-10)18-7-6-15-13(11-2-3-11)12-4-5-12/h8-9,11-13,15H,2-7H2,1H3
InChIKeyVJUSPOKUWAZEOW-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.66
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine

N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 62580330) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
PubChem CID62580330
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1cnc(SCCNC(C2CC2)C2CC2)nc1
InChIInChI=1S/C14H21N3S/c1-10-8-16-14(17-9-10)18-7-6-15-13(11-2-3-11)12-4-5-12/h8-9,11-13,15H,2-7H2,1H3
InChIKeyVJUSPOKUWAZEOW-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine (CID 62580330) is N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine is Cc1cnc(SCCNC(C2CC2)C2CC2)nc1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is VJUSPOKUWAZEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10-8-16-14(17-9-10)18-7-6-15-13(11-2-3-11)12-4-5-12/h8-9,11-13,15H,2-7H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine?
N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 263.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 62580330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).