5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

C18H19N9O — CID 122517544

IUPAC5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(-c3cnc(N)nc3)nc3c2nc2n3CCOC2(C)C)cn1
InChIInChI=1S/C18H19N9O/c1-18(2)16-24-13-12(11-8-22-26(3)9-11)23-14(10-6-20-17(19)21-7-10)25-15(13)27(16)4-5-28-18/h6-9H,4-5H2,1-3H3,(H2,19,20,21)
InChIKeyCXOWIQHMNWEPIG-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.53
Rot. Bonds2

About 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine

5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (PubChem CID 122517544) has the molecular formula C18H19N9O and a molecular weight of 377.41 g/mol. Its IUPAC name is 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
PubChem CID122517544
Molecular FormulaC18H19N9O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(-c3cnc(N)nc3)nc3c2nc2n3CCOC2(C)C)cn1
InChIInChI=1S/C18H19N9O/c1-18(2)16-24-13-12(11-8-22-26(3)9-11)23-14(10-6-20-17(19)21-7-10)25-15(13)27(16)4-5-28-18/h6-9H,4-5H2,1-3H3,(H2,19,20,21)
InChIKeyCXOWIQHMNWEPIG-UHFFFAOYSA-N
XLogP1.53
TPSA122.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (CID 122517544) is 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is Cn1cc(-c2nc(-c3cnc(N)nc3)nc3c2nc2n3CCOC2(C)C)cn1.
What is the InChIKey of 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The InChIKey is CXOWIQHMNWEPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O/c1-18(2)16-24-13-12(11-8-22-26(3)9-11)23-14(10-6-20-17(19)21-7-10)25-15(13)27(16)4-5-28-18/h6-9H,4-5H2,1-3H3,(H2,19,20,21).
What are the key properties of 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine has a molecular weight of 377.41 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 122517544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).