5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]

C19H21N3O — CID 134549140

IUPAC5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]
SMILESCOc1ncnc(C2CC2)c1-c1ccc2c(c1)C1(CC1)CN2C
InChIInChI=1S/C19H21N3O/c1-22-10-19(7-8-19)14-9-13(5-6-15(14)22)16-17(12-3-4-12)20-11-21-18(16)23-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyZMWIRZIYRZKHKW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.51
Rot. Bonds3

About 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]

5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane] (PubChem CID 134549140) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]
PubChem CID134549140
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]
SMILESCOc1ncnc(C2CC2)c1-c1ccc2c(c1)C1(CC1)CN2C
InChIInChI=1S/C19H21N3O/c1-22-10-19(7-8-19)14-9-13(5-6-15(14)22)16-17(12-3-4-12)20-11-21-18(16)23-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyZMWIRZIYRZKHKW-UHFFFAOYSA-N
XLogP3.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane] (CID 134549140) is 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane] is COc1ncnc(C2CC2)c1-c1ccc2c(c1)C1(CC1)CN2C.
What is the InChIKey of 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is ZMWIRZIYRZKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-22-10-19(7-8-19)14-9-13(5-6-15(14)22)16-17(12-3-4-12)20-11-21-18(16)23-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane]?
5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 307.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methylspiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 134549140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).