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

C17H17N7O2 — CID 162674318

IUPAC7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)cnc21
InChIInChI=1S/C17H17N7O2/c1-23-14(25)8-26-13-4-11(5-18-16(13)23)21-17-19-6-12-15(22-17)24(9-20-12)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21,22)
InChIKeyZFSDWMJUJLAVIU-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.73
Rot. Bonds4

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

7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 162674318) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID162674318
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)cnc21
InChIInChI=1S/C17H17N7O2/c1-23-14(25)8-26-13-4-11(5-18-16(13)23)21-17-19-6-12-15(22-17)24(9-20-12)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21,22)
InChIKeyZFSDWMJUJLAVIU-UHFFFAOYSA-N
XLogP1.73
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 162674318) is 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)cnc21.
What is the InChIKey of 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZFSDWMJUJLAVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-23-14(25)8-26-13-4-11(5-18-16(13)23)21-17-19-6-12-15(22-17)24(9-20-12)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21,22).
What are the key properties of 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 351.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[9-(cyclopropylmethyl)purin-2-yl]amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 162674318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).