2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide

C19H27N5O3 — CID 91909041

IUPAC2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1CCCc2nc(C3CC3)ncc2C1=O)NCCN1CCOCC1
InChIInChI=1S/C19H27N5O3/c25-17(20-5-7-23-8-10-27-11-9-23)13-24-6-1-2-16-15(19(24)26)12-21-18(22-16)14-3-4-14/h12,14H,1-11,13H2,(H,20,25)
InChIKeyIOTWQPYYHUHHMV-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.19
Rot. Bonds6

About 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 91909041) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID91909041
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(CN1CCCc2nc(C3CC3)ncc2C1=O)NCCN1CCOCC1
InChIInChI=1S/C19H27N5O3/c25-17(20-5-7-23-8-10-27-11-9-23)13-24-6-1-2-16-15(19(24)26)12-21-18(22-16)14-3-4-14/h12,14H,1-11,13H2,(H,20,25)
InChIKeyIOTWQPYYHUHHMV-UHFFFAOYSA-N
XLogP0.19
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 91909041) is 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide is O=C(CN1CCCc2nc(C3CC3)ncc2C1=O)NCCN1CCOCC1.
What is the InChIKey of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is IOTWQPYYHUHHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c25-17(20-5-7-23-8-10-27-11-9-23)13-24-6-1-2-16-15(19(24)26)12-21-18(22-16)14-3-4-14/h12,14H,1-11,13H2,(H,20,25).
What are the key properties of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 91909041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).