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

C14H21N5O — CID 118741259

IUPAC6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
SMILESCN(C)c1ncc2c(n1)N(C)CCN(CC1CC1)C2=O
InChIInChI=1S/C14H21N5O/c1-17(2)14-15-8-11-12(16-14)18(3)6-7-19(13(11)20)9-10-4-5-10/h8,10H,4-7,9H2,1-3H3
InChIKeyIGWWBJPRRQIGDF-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.84
Rot. Bonds3

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

6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one (PubChem CID 118741259) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
PubChem CID118741259
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
SMILESCN(C)c1ncc2c(n1)N(C)CCN(CC1CC1)C2=O
InChIInChI=1S/C14H21N5O/c1-17(2)14-15-8-11-12(16-14)18(3)6-7-19(13(11)20)9-10-4-5-10/h8,10H,4-7,9H2,1-3H3
InChIKeyIGWWBJPRRQIGDF-UHFFFAOYSA-N
XLogP0.84
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
4-(Cyclopropylmethyl)-3-isopropyl-1-(2-methylpyrimidin-4-YL)-1,4-diazepan-5-one
CID 56864604
4-(Cyclopropylmethyl)-1-(5-ethylpyrimidin-2-YL)-3-isopropyl-1,4-diazepan-5-one
CID 56878357
1-Cyclopentyl-4-[(2-ethyl-5-pyrimidinyl)carbonyl]-1,4-diazepane
CID 70785332
(4-Cyclohexyl-1,4-diazepan-1-yl)-(2-ethylpyrimidin-5-yl)methanone
CID 72857986
6-(Cyclopropylmethyl)-9-methyl-2-[methyl(propyl)amino]-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741285
6-(Cyclopropylmethyl)-9-methyl-2-morpholin-4-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741306
6-(Cyclopropylmethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741369
6-(Cyclopropylmethyl)-9-methyl-2-pyrrolidin-1-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741428
6-(Cyclopropylmethyl)-9-methyl-2-piperidin-1-yl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741429
6-(cyclopropylmethyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one
CID 118741430
(2-ethylpyrimidin-5-yl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 155560726

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The IUPAC name of 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one (CID 118741259) is 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The canonical SMILES for 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one is CN(C)c1ncc2c(n1)N(C)CCN(CC1CC1)C2=O.
What is the InChIKey of 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
The InChIKey is IGWWBJPRRQIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17(2)14-15-8-11-12(16-14)18(3)6-7-19(13(11)20)9-10-4-5-10/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one?
6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one has a molecular weight of 275.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-(dimethylamino)-9-methyl-7,8-dihydropyrimido[4,5-e][1,4]diazepin-5-one is sourced from PubChem (CID 118741259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).