5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine

C19H20F2N6O2 — CID 122517474

IUPAC5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(OC(F)F)c3)nc12
InChIInChI=1S/C19H20F2N6O2/c1-19(2)17-25-13-12(9-3-4-9)24-15(26-16(13)27(17)5-6-28-19)10-7-11(29-18(20)21)14(22)23-8-10/h7-9,18H,3-6H2,1-2H3,(H2,22,23)
InChIKeyDQYCQWJLMBBKEZ-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.21
Rot. Bonds4

About 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine

5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 122517474) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine
PubChem CID122517474
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Name5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(OC(F)F)c3)nc12
InChIInChI=1S/C19H20F2N6O2/c1-19(2)17-25-13-12(9-3-4-9)24-15(26-16(13)27(17)5-6-28-19)10-7-11(29-18(20)21)14(22)23-8-10/h7-9,18H,3-6H2,1-2H3,(H2,22,23)
InChIKeyDQYCQWJLMBBKEZ-UHFFFAOYSA-N
XLogP3.21
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine (CID 122517474) is 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine is CC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(OC(F)F)c3)nc12.
What is the InChIKey of 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is DQYCQWJLMBBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-19(2)17-25-13-12(9-3-4-9)24-15(26-16(13)27(17)5-6-28-19)10-7-11(29-18(20)21)14(22)23-8-10/h7-9,18H,3-6H2,1-2H3,(H2,22,23).
What are the key properties of 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine?
5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 402.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 122517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).