5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine

C19H23N7O2 — CID 57383957

IUPAC5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine
SMILESCC1(C)OCCn2c1cc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C19H23N7O2/c1-19(2)14-9-13-16(25-3-6-27-7-4-25)23-15(12-10-21-18(20)22-11-12)24-17(13)26(14)5-8-28-19/h9-11H,3-8H2,1-2H3,(H2,20,21,22)
InChIKeyLDAFHDKUMRMLFA-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.57
Rot. Bonds2

About 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine

5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine (PubChem CID 57383957) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine
PubChem CID57383957
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine
SMILESCC1(C)OCCn2c1cc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C19H23N7O2/c1-19(2)14-9-13-16(25-3-6-27-7-4-25)23-15(12-10-21-18(20)22-11-12)24-17(13)26(14)5-8-28-19/h9-11H,3-8H2,1-2H3,(H2,20,21,22)
InChIKeyLDAFHDKUMRMLFA-UHFFFAOYSA-N
XLogP1.57
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine (CID 57383957) is 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine is CC1(C)OCCn2c1cc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine?
The InChIKey is LDAFHDKUMRMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-19(2)14-9-13-16(25-3-6-27-7-4-25)23-15(12-10-21-18(20)22-11-12)24-17(13)26(14)5-8-28-19/h9-11H,3-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine?
5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10,10-dimethyl-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 57383957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).