4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine

C21H24N4O3S — CID 71584286

IUPAC4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c12
InChIInChI=1S/C21H24N4O3S/c1-14-3-4-16(15-5-8-22-19(14)15)20-23-17(21(6-7-21)29(2,26)27)13-18(24-20)25-9-11-28-12-10-25/h3-5,8,13,22H,6-7,9-12H2,1-2H3
InChIKeyGFXCSTFNZCQWJQ-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.80
Rot. Bonds4

About 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine

4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine (PubChem CID 71584286) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
PubChem CID71584286
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c12
InChIInChI=1S/C21H24N4O3S/c1-14-3-4-16(15-5-8-22-19(14)15)20-23-17(21(6-7-21)29(2,26)27)13-18(24-20)25-9-11-28-12-10-25/h3-5,8,13,22H,6-7,9-12H2,1-2H3
InChIKeyGFXCSTFNZCQWJQ-UHFFFAOYSA-N
XLogP2.80
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine (CID 71584286) is 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine is Cc1ccc(-c2nc(N3CCOCC3)cc(C3(S(C)(=O)=O)CC3)n2)c2cc[nH]c12.
What is the InChIKey of 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
The InChIKey is GFXCSTFNZCQWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-3-4-16(15-5-8-22-19(14)15)20-23-17(21(6-7-21)29(2,26)27)13-18(24-20)25-9-11-28-12-10-25/h3-5,8,13,22H,6-7,9-12H2,1-2H3.
What are the key properties of 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine?
4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine has a molecular weight of 412.52 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methyl-1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71584286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).