2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide

C14H20N4O2 — CID 97467780

IUPAC2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide
SMILESO=C(CC1CC1)NCc1cc(=O)n2c(n1)CNCCC2
InChIInChI=1S/C14H20N4O2/c19-13(6-10-2-3-10)16-8-11-7-14(20)18-5-1-4-15-9-12(18)17-11/h7,10,15H,1-6,8-9H2,(H,16,19)
InChIKeyBQZJAKIWUMXSNP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.15
Rot. Bonds4

About 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide

2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide (PubChem CID 97467780) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide
PubChem CID97467780
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide
SMILESO=C(CC1CC1)NCc1cc(=O)n2c(n1)CNCCC2
InChIInChI=1S/C14H20N4O2/c19-13(6-10-2-3-10)16-8-11-7-14(20)18-5-1-4-15-9-12(18)17-11/h7,10,15H,1-6,8-9H2,(H,16,19)
InChIKeyBQZJAKIWUMXSNP-UHFFFAOYSA-N
XLogP0.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide (CID 97467780) is 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide is O=C(CC1CC1)NCc1cc(=O)n2c(n1)CNCCC2.
What is the InChIKey of 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide?
The InChIKey is BQZJAKIWUMXSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13(6-10-2-3-10)16-8-11-7-14(20)18-5-1-4-15-9-12(18)17-11/h7,10,15H,1-6,8-9H2,(H,16,19).
What are the key properties of 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide?
2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]acetamide is sourced from PubChem (CID 97467780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).