4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C8H11N3O2 — CID 90903104

IUPAC4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESNC(=O)C1=CCN2CCOCC2=N1
InChIInChI=1S/C8H11N3O2/c9-8(12)6-1-2-11-3-4-13-5-7(11)10-6/h1H,2-5H2,(H2,9,12)
InChIKeyULESVAWNIKDMIA-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.90
Rot. Bonds1

About 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 90903104) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID90903104
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESNC(=O)C1=CCN2CCOCC2=N1
InChIInChI=1S/C8H11N3O2/c9-8(12)6-1-2-11-3-4-13-5-7(11)10-6/h1H,2-5H2,(H2,9,12)
InChIKeyULESVAWNIKDMIA-UHFFFAOYSA-N
XLogP-0.90
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-(morpholinomethyl)-4-pyrimidinol
CID 135408235
2-Methyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135452238
(E)-2-[[(E)-2-fluoro-3-iodo-1-morpholin-4-ylprop-2-enylidene]amino]but-2-enamide
CID 89528962
9,9-Dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90770449
N,N-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90871963
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 91135937
3-(Morpholin-4-ylmethylideneamino)pyrrol-2-one
CID 141197219
1-Methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
CID 150229737
9-ethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 151334078

Frequently Asked Questions

What is the IUPAC name of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 90903104) is 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is NC(=O)C1=CCN2CCOCC2=N1.
What is the InChIKey of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is ULESVAWNIKDMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-8(12)6-1-2-11-3-4-13-5-7(11)10-6/h1H,2-5H2,(H2,9,12).
What are the key properties of 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 90903104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).