5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine

C17H23N7O2 — CID 137467848

IUPAC5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCCOCCN3)cn1
InChIInChI=1S/C17H23N7O2/c18-16-20-10-12(11-21-16)14-13-2-1-6-25-7-3-19-15(13)23-17(22-14)24-4-8-26-9-5-24/h10-11H,1-9H2,(H2,18,20,21)(H,19,22,23)
InChIKeyLOHOKVIUFZPBBI-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.73
Rot. Bonds2

About 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine

5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine (PubChem CID 137467848) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine
PubChem CID137467848
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)nc3c2CCCOCCN3)cn1
InChIInChI=1S/C17H23N7O2/c18-16-20-10-12(11-21-16)14-13-2-1-6-25-7-3-19-15(13)23-17(22-14)24-4-8-26-9-5-24/h10-11H,1-9H2,(H2,18,20,21)(H,19,22,23)
InChIKeyLOHOKVIUFZPBBI-UHFFFAOYSA-N
XLogP0.73
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine with MolForge

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Related Compounds

5-(2-morpholin-4-yl-7-propan-2-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 118444322
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxylic acid
CID 67385184
(4S)-4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]piperidin-2-one
CID 118444263
5-[7-(3-methylpiperidin-3-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine;hydrochloride
CID 118436304
5-[7-[(3S)-3-methylpyrrolidin-3-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118436188
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]ethanone
CID 59244458
5-(2-morpholin-4-yl-4-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl)pyrimidin-2-amine
CID 59244878
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylbenzonitrile
CID 59244834
2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine
CID 144820201
5-[7-(2-methylpentan-2-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118444373
1-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-4-morpholin-4-ylbutane-1,2-dione
CID 67386325
N-[4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
CID 59244650

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine (CID 137467848) is 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine is Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCCOCCN3)cn1.
What is the InChIKey of 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine?
The InChIKey is LOHOKVIUFZPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c18-16-20-10-12(11-21-16)14-13-2-1-6-25-7-3-19-15(13)23-17(22-14)24-4-8-26-9-5-24/h10-11H,1-9H2,(H2,18,20,21)(H,19,22,23).
What are the key properties of 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine?
5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 137467848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).