9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one

C15H24N4O — CID 97382221

IUPAC9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
SMILESCN(C)Cc1cc(=O)n2c(n1)CN(CC1CC1)CCC2
InChIInChI=1S/C15H24N4O/c1-17(2)10-13-8-15(20)19-7-3-6-18(9-12-4-5-12)11-14(19)16-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyPIXFVGJSOSDYPF-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.92
Rot. Bonds4

About 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one

9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one (PubChem CID 97382221) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
PubChem CID97382221
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
SMILESCN(C)Cc1cc(=O)n2c(n1)CN(CC1CC1)CCC2
InChIInChI=1S/C15H24N4O/c1-17(2)10-13-8-15(20)19-7-3-6-18(9-12-4-5-12)11-14(19)16-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyPIXFVGJSOSDYPF-UHFFFAOYSA-N
XLogP0.92
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one?
The IUPAC name of 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one (CID 97382221) is 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one?
The canonical SMILES for 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one is CN(C)Cc1cc(=O)n2c(n1)CN(CC1CC1)CCC2.
What is the InChIKey of 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one?
The InChIKey is PIXFVGJSOSDYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17(2)10-13-8-15(20)19-7-3-6-18(9-12-4-5-12)11-14(19)16-13/h8,12H,3-7,9-11H2,1-2H3.
What are the key properties of 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one?
9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one has a molecular weight of 276.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one is sourced from PubChem (CID 97382221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).