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

C18H20N6O — CID 122536176

IUPAC5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)nc3)cc12
InChIInChI=1S/C18H20N6O/c1-18(2)16-23-15-13(24(16)5-6-25-18)7-12(22-14(15)10-3-4-10)11-8-20-17(19)21-9-11/h7-10H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyFDSDWTCCXCXCEM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.61
Rot. Bonds2

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

5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine (PubChem CID 122536176) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine
PubChem CID122536176
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)nc3)cc12
InChIInChI=1S/C18H20N6O/c1-18(2)16-23-15-13(24(16)5-6-25-18)7-12(22-14(15)10-3-4-10)11-8-20-17(19)21-9-11/h7-10H,3-6H2,1-2H3,(H2,19,20,21)
InChIKeyFDSDWTCCXCXCEM-UHFFFAOYSA-N
XLogP2.61
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine (CID 122536176) is 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine is CC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)nc3)cc12.
What is the InChIKey of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine?
The InChIKey is FDSDWTCCXCXCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-18(2)16-23-15-13(24(16)5-6-25-18)7-12(22-14(15)10-3-4-10)11-8-20-17(19)21-9-11/h7-10H,3-6H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine?
5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 122536176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).