spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide

C12H15N3O2 — CID 69205931

IUPACspiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(CCCC3)C2=N1
InChIInChI=1S/C12H15N3O2/c13-10(16)9-3-6-15-7-8-17-12(11(15)14-9)4-1-2-5-12/h3,7-8H,1-2,4-6H2,(H2,13,16)
InChIKeyJCRKDWSYAVFWGD-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.88
Rot. Bonds1

About spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide

spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide (PubChem CID 69205931) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide.

Molecular Properties

Compound Namespiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
PubChem CID69205931
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namespiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
SMILESNC(=O)C1=CCN2C=COC3(CCCC3)C2=N1
InChIInChI=1S/C12H15N3O2/c13-10(16)9-3-6-15-7-8-17-12(11(15)14-9)4-1-2-5-12/h3,7-8H,1-2,4-6H2,(H2,13,16)
InChIKeyJCRKDWSYAVFWGD-UHFFFAOYSA-N
XLogP0.88
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
The IUPAC name of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide (CID 69205931) is spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide.
What is the SMILES notation for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
The canonical SMILES for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide is NC(=O)C1=CCN2C=COC3(CCCC3)C2=N1.
What is the InChIKey of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
The InChIKey is JCRKDWSYAVFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-10(16)9-3-6-15-7-8-17-12(11(15)14-9)4-1-2-5-12/h3,7-8H,1-2,4-6H2,(H2,13,16).
What are the key properties of spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide?
spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide is sourced from PubChem (CID 69205931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).