2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide

C21H23N3O2 — CID 129488212

IUPAC2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cnc(C2CC2)nc1
InChIInChI=1S/C21H23N3O2/c25-20(16-12-22-19(23-13-16)14-5-6-14)24-18-17-4-2-1-3-15(17)11-21(18)7-9-26-10-8-21/h1-4,12-14,18H,5-11H2,(H,24,25)/t18-/m1/s1
InChIKeyZNMXYWCZRDXOMW-GOSISDBHSA-N
MW349.43 g/mol
LogP3.18
Rot. Bonds3

About 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide (PubChem CID 129488212) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide
PubChem CID129488212
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cnc(C2CC2)nc1
InChIInChI=1S/C21H23N3O2/c25-20(16-12-22-19(23-13-16)14-5-6-14)24-18-17-4-2-1-3-15(17)11-21(18)7-9-26-10-8-21/h1-4,12-14,18H,5-11H2,(H,24,25)/t18-/m1/s1
InChIKeyZNMXYWCZRDXOMW-GOSISDBHSA-N
XLogP3.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide (CID 129488212) is 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide is O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide?
The InChIKey is ZNMXYWCZRDXOMW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(16-12-22-19(23-13-16)14-5-6-14)24-18-17-4-2-1-3-15(17)11-21(18)7-9-26-10-8-21/h1-4,12-14,18H,5-11H2,(H,24,25)/t18-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 129488212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).