3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C20H25N3O5 — CID 54717470

IUPAC3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)cc1
InChIInChI=1S/C20H25N3O5/c1-12(2)28-14-7-5-13(6-8-14)11-21-17(25)15-16(24)18(26)23-9-10-27-20(3,4)19(23)22-15/h5-8,12,24H,9-11H2,1-4H3,(H,21,25)
InChIKeyMVIOFYOIPQYAHY-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.93
Rot. Bonds5

About 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54717470) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54717470
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)cc1
InChIInChI=1S/C20H25N3O5/c1-12(2)28-14-7-5-13(6-8-14)11-21-17(25)15-16(24)18(26)23-9-10-27-20(3,4)19(23)22-15/h5-8,12,24H,9-11H2,1-4H3,(H,21,25)
InChIKeyMVIOFYOIPQYAHY-UHFFFAOYSA-N
XLogP1.93
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

5-hydroxy-N-[(3-methoxyphenyl)methyl]-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677527
2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54735092
2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5,6-dihydroxy-pyrimidine-4-carboxamide
CID 136036653
benzyl N-[1-[4,5-dihydroxy-6-[(4-methoxyphenyl)methylcarbamoyl]pyrimidin-2-yl]-1-methyl-ethyl]carbamate
CID 136252892
5-hydroxy-N-[(4-methoxyphenyl)methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 168295620
2-(4-Ethoxybenzyl)-6-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-ol
CID 135485417
7-[2-(3,4-Difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112276
2-(4-fluorophenyl)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136262728
5-Hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.12,6.111,15]octacosa-1(26),2(28),5,11(27),12,14,22,24-octaene-4,7-dione
CID 164575492
trans-RdRP-IN-5
CID 165368573
(18E)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.12,6.111,15]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione
CID 165416338
2-[[1-(4-Ethoxyphenyl)ethylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42929148

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54717470) is 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC(C)Oc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCOC3(C)C)cc1.
What is the InChIKey of 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is MVIOFYOIPQYAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-12(2)28-14-7-5-13(6-8-14)11-21-17(25)15-16(24)18(26)23-9-10-27-20(3,4)19(23)22-15/h5-8,12,24H,9-11H2,1-4H3,(H,21,25).
What are the key properties of 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9,9-dimethyl-4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54717470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).