6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one

C16H23N5O2 — CID 118741306

IUPAC6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
SMILESCN1CCN(CC2CC2)C(=O)c2cnc(N3CCOCC3)nc21
InChIInChI=1S/C16H23N5O2/c1-19-4-5-21(11-12-2-3-12)15(22)13-10-17-16(18-14(13)19)20-6-8-23-9-7-20/h10,12H,2-9,11H2,1H3
InChIKeyKEUBARAPGJUBNN-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.62
Rot. Bonds3

About 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one

6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one (PubChem CID 118741306) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
PubChem CID118741306
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
SMILESCN1CCN(CC2CC2)C(=O)c2cnc(N3CCOCC3)nc21
InChIInChI=1S/C16H23N5O2/c1-19-4-5-21(11-12-2-3-12)15(22)13-10-17-16(18-14(13)19)20-6-8-23-9-7-20/h10,12H,2-9,11H2,1H3
InChIKeyKEUBARAPGJUBNN-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The IUPAC name of 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one (CID 118741306) is 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The canonical SMILES for 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one is CN1CCN(CC2CC2)C(=O)c2cnc(N3CCOCC3)nc21.
What is the InChIKey of 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The InChIKey is KEUBARAPGJUBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-19-4-5-21(11-12-2-3-12)15(22)13-10-17-16(18-14(13)19)20-6-8-23-9-7-20/h10,12H,2-9,11H2,1H3.
What are the key properties of 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one has a molecular weight of 317.39 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one is sourced from PubChem (CID 118741306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).