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

C19H24N8O — CID 122536063

IUPAC5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESC[C@@H]1CCCN1c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C
InChIInChI=1S/C19H24N8O/c1-11-5-4-6-26(11)15-13-16(27-7-8-28-19(2,3)17(27)23-13)25-14(24-15)12-9-21-18(20)22-10-12/h9-11H,4-8H2,1-3H3,(H2,20,21,22)/t11-/m1/s1
InChIKeyRORSZTPZBBTVDO-LLVKDONJSA-N
MW380.46 g/mol
LogP2.12
Rot. Bonds2

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

5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (PubChem CID 122536063) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
PubChem CID122536063
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
SMILESC[C@@H]1CCCN1c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C
InChIInChI=1S/C19H24N8O/c1-11-5-4-6-26(11)15-13-16(27-7-8-28-19(2,3)17(27)23-13)25-14(24-15)12-9-21-18(20)22-10-12/h9-11H,4-8H2,1-3H3,(H2,20,21,22)/t11-/m1/s1
InChIKeyRORSZTPZBBTVDO-LLVKDONJSA-N
XLogP2.12
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine (CID 122536063) is 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-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-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is C[C@@H]1CCCN1c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C.
What is the InChIKey of 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
The InChIKey is RORSZTPZBBTVDO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H24N8O/c1-11-5-4-6-26(11)15-13-16(27-7-8-28-19(2,3)17(27)23-13)25-14(24-15)12-9-21-18(20)22-10-12/h9-11H,4-8H2,1-3H3,(H2,20,21,22)/t11-/m1/s1.
What are the key properties of 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine?
5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine has a molecular weight of 380.46 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,6-dimethyl-4-[(2R)-2-methylpyrrolidin-1-yl]-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 122536063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).