7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C18H19N7O2 — CID 162668097

IUPAC7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1
InChIInChI=1S/C18H19N7O2/c1-10-15-17(25(9-20-15)7-11-3-4-11)23-18(21-10)22-12-5-13-16(19-6-12)24(2)14(26)8-27-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyVXKAPVMLIBICJF-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.04
Rot. Bonds4

About 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one

7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 162668097) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID162668097
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1
InChIInChI=1S/C18H19N7O2/c1-10-15-17(25(9-20-15)7-11-3-4-11)23-18(21-10)22-12-5-13-16(19-6-12)24(2)14(26)8-27-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyVXKAPVMLIBICJF-UHFFFAOYSA-N
XLogP2.04
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 162668097) is 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is Cc1nc(Nc2cnc3c(c2)OCC(=O)N3C)nc2c1ncn2CC1CC1.
What is the InChIKey of 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VXKAPVMLIBICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-10-15-17(25(9-20-15)7-11-3-4-11)23-18(21-10)22-12-5-13-16(19-6-12)24(2)14(26)8-27-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,21,22,23).
What are the key properties of 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 365.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[9-(cyclopropylmethyl)-6-methylpurin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 162668097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).